untitled.cdx
csChFnd80/06012109282D

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M  END
>  <Mol_ID> (1)
8

>  <Formula> (1)
C19H25BN4O4

>  <MolWeight> (1)
384.2372

>  <Cat> (1)
S1013

>  <Name> (1)
Bortezomib (Velcade)

>  <Synonyms> (1)
MG-341, PS-341

>  <Target> (1)
Proteasome

>  <Form> (1)
Free Base

>  <CAS> (1)
179324-69-7

>  <URL> (1)
http://www.selleckchem.com/products/Bortezomib.html

$$$$
untitled.cdx
csChFnd80/06012109282D

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M  END
>  <Mol_ID> (2)
13

>  <Formula> (2)
C53H84NO14P

>  <MolWeight> (2)
990.206121

>  <Cat> (2)
S1022

>  <Name> (2)
Deforolimus (MK-8669) 

>  <Synonyms> (2)
AP23573, MK-8669

>  <Target> (2)
mTOR

>  <Form> (2)
Free Base

>  <CAS> (2)
572924-54-0

>  <URL> (2)
http://www.selleckchem.com/products/Deforolimus.html

$$$$
untitled.cdx
csChFnd80/06012109282D

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M  END
>  <Mol_ID> (3)
18

>  <Formula> (3)
C13H13N3O3

>  <MolWeight> (3)
259.26062

>  <Cat> (3)
S1029

>  <Name> (3)
Lenalidomide (CC-5013)

>  <Synonyms> (3)
CC-5013

>  <Target> (3)
TNF-alpha

>  <Form> (3)
Free Base

>  <CAS> (3)
191732-72-6

>  <URL> (3)
http://www.selleckchem.com/products/Lenalidomide.html

$$$$
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>  <Mol_ID> (4)
26

>  <Formula> (4)
C19H16N4O3

>  <MolWeight> (4)
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>  <Cat> (4)
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>  <Name> (4)
PI-103

>  <Synonyms> (4)
N/A

>  <Target> (4)
DNA-PK, PI3K, mTOR

>  <Form> (4)
Free Base

>  <CAS> (4)
371935-74-9

>  <URL> (4)
http://www.selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
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>  <Mol_ID> (5)
27

>  <Formula> (5)
C51H79NO13

>  <MolWeight> (5)
914.17186

>  <Cat> (5)
S1039

>  <Name> (5)
Rapamycin (Sirolimus)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
mTOR 

>  <Form> (5)
Free Base

>  <CAS> (5)
53123-88-9

>  <URL> (5)
http://www.selleckchem.com/products/Rapamycin.html

$$$$
nutlin-3.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (6)
39

>  <Formula> (6)
C30H30Cl2N4O4

>  <MolWeight> (6)
581.4896

>  <Cat> (6)
S1061

>  <Name> (6)
Nutlin-3

>  <Synonyms> (6)
N/A

>  <Target> (6)
Mdm2

>  <Form> (6)
Free Base

>  <CAS> (6)
548472-68-0

>  <URL> (6)
http://www.selleckchem.com/products/Nutlin-3.html

$$$$
Everolimus.cdx
csChFnd80/06012109282D

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Certican, Zortress, Afinitor

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mTOR

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159351-69-6

>  <URL> (7)
http://www.selleckchem.com/products/Everolimus(RAD001).html

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untitled.cdx
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>  <Mol_ID> (8)
102

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N/A 

>  <Target> (8)
p53 

>  <Form> (8)
Free Base

>  <CAS> (8)
881202-45-5

>  <URL> (8)
http://www.selleckchem.com/products/JNJ-26854165.html

$$$$
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109

>  <Formula> (9)
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Wnt/beta-catenin

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Free Base

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284028-89-3

>  <URL> (9)
http://www.selleckchem.com/products/XAV-939.html

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   18.1806    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (14)
318

>  <Formula> (14)
C31H29N5O6S

>  <MolWeight> (14)
599.65686

>  <Cat> (14)
S1523

>  <Name> (14)
XL765

>  <Synonyms> (14)
N/A 

>  <Target> (14)
PI3K, mTOR

>  <Form> (14)
Free Base

>  <CAS> (14)
1349796-36-6

>  <URL> (14)
http://www.selleckchem.com/products/XL765(SAR245409).html#

$$$$
AZD 8055.cdx
csChFnd80/06012109282D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
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  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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M  END
>  <Mol_ID> (15)
339

>  <Formula> (15)
C25H31N5O4

>  <MolWeight> (15)
465.54474

>  <Cat> (15)
S1555

>  <Name> (15)
AZD8055

>  <Synonyms> (15)
N/A 

>  <Target> (15)
mTOR

>  <Form> (15)
Free Base

>  <CAS> (15)
1009298-09-2

>  <URL> (15)
http://www.selleckchem.com/products/AZD8055.html

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/06012109282D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    1.2124    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6744    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7744    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9768    0.0388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    2.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 13  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (16)
347

>  <Formula> (16)
C13H11N3O4

>  <MolWeight> (16)
273.24414

>  <Cat> (16)
S1567

>  <Name> (16)
Pomalidomide

>  <Synonyms> (16)
CC-4047

>  <Target> (16)
TNF-alpha, COX

>  <Form> (16)
Free Base

>  <CAS> (16)
19171-19-8

>  <URL> (16)
http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

$$$$
APRISO (mesalamine).cdx
csChFnd80/06012109282D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (17)
410

>  <Formula> (17)
C7H7NO3

>  <MolWeight> (17)
153.13538

>  <Cat> (17)
S1681

>  <Name> (17)
Mesalamine (Lialda)

>  <Synonyms> (17)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (17)
I¦ÊB/IKK

>  <Form> (17)
Free Base

>  <CAS> (17)
89-57-6

>  <URL> (17)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/06012109282D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (18)
455

>  <Formula> (18)
C5H5N5S

>  <MolWeight> (18)
167.1917

>  <Cat> (18)
S1774

>  <Name> (18)
Thioguanine

>  <Synonyms> (18)
6-Thioguanine

>  <Target> (18)
Others

>  <Form> (18)
Free Base

>  <CAS> (18)
154-42-7

>  <URL> (18)
http://www.selleckchem.com/products/Thioguanine.html

$$$$
NVP-BGT226.cdx
csChFnd80/06012109282D

 47 51  0  0  0  0  0  0  0  0999 V2000
   12.0829    7.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0829   10.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4829   10.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1829   11.5904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9523    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0829    5.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0538    5.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4864    6.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5496    7.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1802    7.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7476    5.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6844    4.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9822    8.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4149   10.2446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6508    9.3458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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mTOR

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Free Base

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1009298-59-2

>  <URL> (23)
http://www.selleckchem.com/products/azd2014.html

$$$$
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>  <Mol_ID> (24)
610

>  <Formula> (24)
C41H42N4O8

>  <MolWeight> (24)
718.79418

>  <Cat> (24)
S1786

>  <Name> (24)
Verteporfin (Visudyne)

>  <Synonyms> (24)
Visudyne

>  <Target> (24)
5-alpha Reductase 

>  <Form> (24)
Free Base

>  <CAS> (24)
129497-78-5

>  <URL> (24)
http://www.selleckchem.com/products/Verteporfin(Visudyne).html

$$$$
Torin 2.cdx
csChFnd80/06012109282D

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Torin 2

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mTOR

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Free Base

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1223001-51-1

>  <URL> (25)
http://www.selleckchem.com/products/torin-2.html

$$$$
MLN2238.cdx
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>  <Mol_ID> (26)
663

>  <Formula> (26)
C14H19BCl2N2O4

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>  <Cat> (26)
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>  <Synonyms> (26)
N/A

>  <Target> (26)
Proteasome 

>  <Form> (26)
Free Base

>  <CAS> (26)
1072833-77-2

>  <URL> (26)
http://www.selleckchem.com/products/MLN-2238.html

$$$$
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csChFnd80/06012109282D

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Ixazomib Citrate (MLN9708)

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N/A

>  <Target> (27)
Proteasome

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Free Base

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1201902-80-8

>  <URL> (27)
http://www.selleckchem.com/products/MLN9708.html

$$$$
PP442.cdx
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687

>  <Formula> (28)
C16H16N6O

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Torkinib (PP242)

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TORKinib 

>  <Target> (28)
mTOR

>  <Form> (28)
Free Base

>  <CAS> (28)
1092351-67-1

>  <URL> (28)
http://www.selleckchem.com/products/PP242.html

$$$$
Andrographolide.cdx
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696

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C20H30O5

>  <MolWeight> (29)
350.4492

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S2261

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Andrographolide

>  <Synonyms> (29)
N/A

>  <Target> (29)
NF-¦ÊB

>  <Form> (29)
Free Base

>  <CAS> (29)
5508-58-7

>  <URL> (29)
http://www.selleckchem.com/products/Andrographolide.html

$$$$
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>  <Mol_ID> (30)
736

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C9H9NO

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NF-¦ÊB

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Free Base

>  <CAS> (30)
700-06-1

>  <URL> (30)
http://www.selleckchem.com/products/Indole-3-carbinol.html

$$$$
Magnolol.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (31)
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>  <Formula> (31)
C18H18O2

>  <MolWeight> (31)
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Magnolol

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2,2'-Bichavicol

>  <Target> (31)
NF-¦ÊB

>  <Form> (31)
Free Base

>  <CAS> (31)
528-43-8

>  <URL> (31)
http://www.selleckchem.com/products/Magnolol(2,2-Bichavicol).html

$$$$
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csChFnd80/06012109282D

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M  END
>  <Mol_ID> (32)
757

>  <Formula> (32)
C15H20O3

>  <MolWeight> (32)
248.3175

>  <Cat> (32)
S2341

>  <Name> (32)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (32)
N/A 

>  <Target> (32)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (32)
Free Base

>  <CAS> (32)
20554-84-1

>  <URL> (32)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

$$$$
Chrysophanic acid.cdx
csChFnd80/06012109282D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (33)
771

>  <Formula> (33)
C15H10O4

>  <MolWeight> (33)
254.2375

>  <Cat> (33)
S2406

>  <Name> (33)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (33)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (33)
EGFR, mTOR

>  <Form> (33)
Free Base

>  <CAS> (33)
481-74-3

>  <URL> (33)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
GSK2126458.cdx
csChFnd80/06012109282D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (34)
812

>  <Formula> (34)
C25H17F2N5O3S

>  <MolWeight> (34)
505.4959864

>  <Cat> (34)
S2658

>  <Name> (34)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (34)
N/A 

>  <Target> (34)
PI3K, mTOR

>  <Form> (34)
Free Base

>  <CAS> (34)
1086062-66-9 

>  <URL> (34)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
TAME.cdx
csChFnd80/06012109282D

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M  END
>  <Mol_ID> (35)
846

>  <Formula> (35)
C14H22N4O4S

>  <MolWeight> (35)
342.41388

>  <Cat> (35)
S2225

>  <Name> (35)
TAME

>  <Synonyms> (35)
N/A

>  <Target> (35)
APC

>  <Form> (35)
Free Base

>  <CAS> (35)
901-47-3

>  <URL> (35)
http://www.selleckchem.com/products/TAME.html

$$$$
MG132.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (36)
856

>  <Formula> (36)
C26H41N3O5

>  <MolWeight> (36)
475.62084

>  <Cat> (36)
S2619

>  <Name> (36)
MG-132

>  <Synonyms> (36)
N/A 

>  <Target> (36)
Proteasome

>  <Form> (36)
Free Base

>  <CAS> (36)
133407-82-6 

>  <URL> (36)
http://www.selleckchem.com/products/MG132.html

$$$$
OSI-027.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (37)
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C21H22N6O3

>  <MolWeight> (37)
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N/A 

>  <Target> (37)
mTOR

>  <Form> (37)
Free Base

>  <CAS> (37)
936890-98-1

>  <URL> (37)
http://www.selleckchem.com/products/OSI027.html

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>  <Mol_ID> (38)
858

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C17H17N7

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319.36378

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PP-121

>  <Synonyms> (38)
N/A

>  <Target> (38)
DNA-PK, mTOR, PDGF

>  <Form> (38)
Free Base

>  <CAS> (38)
1092788-83-4

>  <URL> (38)
http://www.selleckchem.com/products/PP121.html

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>  <Mol_ID> (39)
861

>  <Formula> (39)
C19H18BrN3O

>  <MolWeight> (39)
384.26972

>  <Cat> (39)
S2243

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Degrasyn (WP1130)

>  <Synonyms> (39)
N/A

>  <Target> (39)
DUB, Bcr-Abl

>  <Form> (39)
Free Base

>  <CAS> (39)
856243-80-6

>  <URL> (39)
http://www.selleckchem.com/products/WP1130.html

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895

>  <Formula> (40)
C28H30N8O

>  <MolWeight> (40)
494.5908

>  <Cat> (40)
S2689

>  <Name> (40)
WAY-600

>  <Synonyms> (40)
N/A 

>  <Target> (40)
mTOR

>  <Form> (40)
Free Base

>  <CAS> (40)
1062159-35-6 

>  <URL> (40)
http://www.selleckchem.com/products/way-600.html

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M  END
>  <Mol_ID> (41)
896

>  <Formula> (41)
C27H33N7O4

>  <MolWeight> (41)
519.59542

>  <Cat> (41)
S2661

>  <Name> (41)
WYE-125132

>  <Synonyms> (41)
N/A

>  <Target> (41)
mTOR

>  <Form> (41)
Free Base

>  <CAS> (41)
1144068-46-1

>  <URL> (41)
http://www.selleckchem.com/products/wye-125132.html

$$$$
Curcumin.cdx
csChFnd80/06012109282D

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M  END
>  <Mol_ID> (42)
907

>  <Formula> (42)
C21H20O6

>  <MolWeight> (42)
368.3799

>  <Cat> (42)
S1848

>  <Name> (42)
Curcumin

>  <Synonyms> (42)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (42)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (42)
Free Base

>  <CAS> (42)
458-37-7

>  <URL> (42)
http://www.selleckchem.com/products/Curcumin.html

$$$$
ICG001.cdx
csChFnd80/06012109282D

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M  END
>  <Mol_ID> (43)
914

>  <Formula> (43)
C33H32N4O4

>  <MolWeight> (43)
548.63158

>  <Cat> (43)
S2662

>  <Name> (43)
ICG-001

>  <Synonyms> (43)
N/A

>  <Target> (43)
Wnt/beta-catenin

>  <Form> (43)
Free Base

>  <CAS> (43)
780757-88-2

>  <URL> (43)
http://www.selleckchem.com/products/icg-001.html

$$$$
GDC 0980.cdx
csChFnd80/06012109282D

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M  END
>  <Mol_ID> (44)
935

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Free Base

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1032754-93-0

>  <URL> (44)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

$$$$
INK 128.cdx
csChFnd80/06012109282D

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948

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C15H15N7O

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INK 128 (MLN0128)

>  <Synonyms> (45)
N/A 

>  <Target> (45)
mTOR 

>  <Form> (45)
Free Base

>  <CAS> (45)
1224844-38-5

>  <URL> (45)
http://www.selleckchem.com/products/ink128.html

$$$$
PF-04691502.cdx
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>  <Mol_ID> (46)
960

>  <Formula> (46)
C22H27N5O4

>  <MolWeight> (46)
425.48088

>  <Cat> (46)
S2743

>  <Name> (46)
PF-04691502

>  <Synonyms> (46)
N/A

>  <Target> (46)
mTOR, PI3K, Akt

>  <Form> (46)
Free Base

>  <CAS> (46)
1013101-36-4 

>  <URL> (46)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Thalidomide.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (47)
1023

>  <Formula> (47)
C13H10N2O4

>  <MolWeight> (47)
258.2295

>  <Cat> (47)
S1193

>  <Name> (47)
Thalidomide

>  <Synonyms> (47)
Thalomid 

>  <Target> (47)
E3 Ligase ,TNF-alpha

>  <Form> (47)
Free Base

>  <CAS> (47)
50-35-1

>  <URL> (47)
http://www.selleckchem.com/products/Thalidomide.html

$$$$
Sodium salicylate.cdx
csChFnd80/06012109282D

 11 10  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (48)
1036

>  <Formula> (48)
C7H6NaO3

>  <MolWeight> (48)
161.11051

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S3137

>  <Name> (48)
Sodium salicylate

>  <Synonyms> (48)
N/A 

>  <Target> (48)
NF-¦ÊB

>  <Form> (48)
sodium salt

>  <CAS> (48)
54-21-7

>  <URL> (48)
http://www.selleckchem.com/products/sodium-salicylate.html

$$$$
TPCA-1.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (49)
1039

>  <Formula> (49)
C12H10FN3O2S

>  <MolWeight> (49)
279.2901032

>  <Cat> (49)
S2824

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TPCA-1

>  <Synonyms> (49)
N/A 

>  <Target> (49)
IKK

>  <Form> (49)
Free Base

>  <CAS> (49)
507475-17-4

>  <URL> (49)
http://www.selleckchem.com/products/tpca-1.html

$$$$
carfilzomib(PR-171).cdx
csChFnd80/06012109282D

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Triptolide

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>  <Target> (54)
NF-¦ÊB

>  <Form> (54)
Free Base

>  <CAS> (54)
38748-32-2

>  <URL> (54)
http://www.selleckchem.com/products/triptolide.html

$$$$
Gabexate mesylate.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (55)
1213

>  <Formula> (55)
C17H27N3O7S

>  <MolWeight> (55)
417.47718

>  <Cat> (55)
S2101

>  <Name> (55)
Gabexate mesylate

>  <Synonyms> (55)
N/A

>  <Target> (55)
Proteasome

>  <Form> (55)
Mesylate

>  <CAS> (55)
56974-61-9

>  <URL> (55)
http://www.selleckchem.com/products/gabexate-mesylate.html

$$$$
BAY 11-7082.cdx
csChFnd80/06012109282D

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M  END
>  <Mol_ID> (56)
1242

>  <Formula> (56)
C10H9NO2S

>  <MolWeight> (56)
207.24896

>  <Cat> (56)
S2913

>  <Name> (56)
BAY 11-7082 (BAY 11-7821)

>  <Synonyms> (56)
N/A

>  <Target> (56)
I¦ÊB/IKK

>  <Form> (56)
Free Base

>  <CAS> (56)
19542-67-7

>  <URL> (56)
http://www.selleckchem.com/products/bay-11-7082-bay-11-7821.html

$$$$
QNZ.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (57)
1281

>  <Formula> (57)
C22H20N4O

>  <MolWeight> (57)
356.4204

>  <Cat> (57)
S4902

>  <Name> (57)
QNZ (EVP4593)

>  <Synonyms> (57)
N/A

>  <Target> (57)
NF-¦ÊB

>  <Form> (57)
Free Base

>  <CAS> (57)
545380-34-5

>  <URL> (57)
http://www.selleckchem.com/products/qnz-evp4593.html

$$$$
SC-514.cdx
csChFnd80/06012109282D

 14 15  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (58)
1282

>  <Formula> (58)
C9H8N2OS2

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224.30262

>  <Cat> (58)
S4907

>  <Name> (58)
SC-514 

>  <Synonyms> (58)
N/A

>  <Target> (58)
I¦ÊB/IKK

>  <Form> (58)
Free Base

>  <CAS> (58)
354812-17-2

>  <URL> (58)
http://www.selleckchem.com/products/sc-514.html

$$$$
Aminosalicylate sodium.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (59)
1305

>  <Formula> (59)
C7H6NNaO3

>  <MolWeight> (59)
175.11721

>  <Cat> (59)
S4073

>  <Name> (59)
Sodium 4-Aminosalicylate

>  <Synonyms> (59)
N/A

>  <Target> (59)
NF-¦ÊB

>  <Form> (59)
Sodium Salt

>  <CAS> (59)
133-10-8

>  <URL> (59)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

$$$$
b-AP15.cdx
csChFnd80/06012109282D

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DUB

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Free Base

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1009817-63-3

>  <URL> (60)
http://www.selleckchem.com/products/b-ap15.html

$$$$
MDBN.cdx
csChFnd80/06012109282D

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N/A

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Tyrosinase,p97,Syk,Src

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Free Base

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1485-00-3

>  <URL> (61)
http://www.selleckchem.com/products/mdbn.html

$$$$
PROGRAF (tacrolimus).cdx
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>  <MolWeight> (62)
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>  <Name> (62)
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>  <Synonyms> (62)
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>  <Target> (62)
mTOR

>  <Form> (62)
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>  <CAS> (62)
104987-11-3

>  <URL> (62)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (63)
1537

>  <Formula> (63)
C56H87NO16

>  <MolWeight> (63)
1030.28708

>  <Cat> (63)
S1044

>  <Name> (63)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (63)
N/A

>  <Target> (63)
mTOR

>  <Form> (63)
Free Base

>  <CAS> (63)
162635-04-3

>  <URL> (63)
http://www.selleckchem.com/products/Temsirolimus.html

$$$$
AT-406.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (64)
1695

>  <Formula> (64)
C32H43N5O4

>  <MolWeight> (64)
561.71492

>  <Cat> (64)
S2754

>  <Name> (64)
AT-406

>  <Synonyms> (64)
N/A

>  <Target> (64)
IAP

>  <Form> (64)
Free Base

>  <CAS> (64)
1071992-99-8, 1071992-57-8 (HCl)

>  <URL> (64)
http://www.selleckchem.com/products/at-406.html

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (65)
1749

>  <Formula> (65)
C18H16O8

>  <MolWeight> (65)
360.31484

>  <Cat> (65)
S3612

>  <Name> (65)
Rosmarinic acid

>  <Synonyms> (65)
Rosemary acid

>  <Target> (65)
IKK ¦Â

>  <Form> (65)
free base

>  <CAS> (65)
20283-92-5

>  <URL> (65)
http://www.selleckchem.com/products/rosmarinic-acid.html

$$$$
S3692 N-Ethylmaleimide.cdx
csChFnd80/06012109282D

  9  9  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (66)
1754

>  <Formula> (66)
C6H7NO2

>  <MolWeight> (66)
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>  <Cat> (66)
S3692

>  <Name> (66)
N-Ethylmaleimide (NEM)

>  <Synonyms> (66)
N/A

>  <Target> (66)
cysteine peptidases

>  <Form> (66)
free base

>  <CAS> (66)
128-53-0

>  <URL> (66)
http://www.selleckchem.com/products/n-ethylmaleimide-nem.html

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/06012109282D

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M  END
>  <Mol_ID> (67)
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S3633

>  <Name> (67)
Pyrrolidinedithiocarbamate ammonium

>  <Synonyms> (67)
APDC, PDTC

>  <Target> (67)
NF-¦ÊB

>  <Form> (67)
ammonium salt

>  <CAS> (67)
5108-96-3

>  <URL> (67)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/06012109282D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7509    2.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858    3.5533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5841    3.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0184    2.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    6.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    5.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    4.6475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4441    4.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1553    6.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    6.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    6.0001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682    8.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3505    1.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    7.3991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103    3.4351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
  9 13  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  5 14  2  0  0  0  0
  8 15  2  0  0  0  0
 12 16  2  0  0  0  0
  4 17  2  0  0  0  0
 13 18  1  6  0  0  0
  9 19  1  6  0  0  0
M  END
>  <Mol_ID> (68)
1770

>  <Formula> (68)
C15H18O2

>  <MolWeight> (68)
230.30222

>  <Cat> (68)
S3615

>  <Name> (68)
Dehydrocostus Lactone

>  <Synonyms> (68)
N/A

>  <Target> (68)
 IKK¦Â

>  <Form> (68)
free base

>  <CAS> (68)
477-43-0

>  <URL> (68)
http://www.selleckchem.com/products/dehydrocostus-lactone.html

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/06012109282D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6085    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    4.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0326    4.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    6.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    0.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (69)
1772

>  <Formula> (69)
C9H10O4

>  <MolWeight> (69)
182.1733

>  <Cat> (69)
S3630

>  <Name> (69)
Methyl Vanillate

>  <Synonyms> (69)
N/A

>  <Target> (69)
Wnt/¦Â-Catenin

>  <Form> (69)
free base

>  <CAS> (69)
3943-74-6

>  <URL> (69)
http://www.selleckchem.com/products/methyl-vanillate.html

$$$$
S3942 Cardamonin.cdx
csChFnd80/06012109282D

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (70)
1880

>  <Formula> (70)
C16H14O4

>  <MolWeight> (70)
270.27996

>  <Cat> (70)
S3867

>  <Name> (70)
Cardamoni

>  <Synonyms> (70)
Alpinetin chalcone, cardamomin

>  <Target> (70)
NF-¦ÊB,Calcium Channel

>  <Form> (70)
free base

>  <CAS> (70)
 19309-14-9

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/06012109282D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 23 14  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 27 29  1  6  0  0  0
 29 30  1  0  0  0  0
 26 31  1  1  0  0  0
 25 32  1  6  0  0  0
 24 33  1  1  0  0  0
M  END
>  <Mol_ID> (71)
1909

>  <Formula> (71)
C21H20O12

>  <MolWeight> (71)
464.3763

>  <Cat> (71)
S3842

>  <Name> (71)
Isoquercitrin

>  <Synonyms> (71)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (71)
Wnt/¦Â-catenin

>  <Form> (71)
free base

>  <CAS> (71)
482-35-9

>  <URL> (71)
http://www.selleckchem.com/products/isoquercitrin.html

$$$$
S3874 Curcumenol.cdx
csChFnd80/06012109282D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.7647    2.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7647    4.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4640    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6693    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0963    2.5261    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6968    5.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    4.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7183    3.6623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3070    2.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9212    3.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3311    4.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0151    6.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389    3.6623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4171    1.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7647    5.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 18  1  1  0  0  0
  8  3  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (72)
1962

>  <Formula> (72)
C15H22O2

>  <MolWeight> (72)
234.33398

>  <Cat> (72)
S3874

>  <Name> (72)
Curcumenol

>  <Synonyms> (72)
N/A

>  <Target> (72)
NF-¦ÊB

>  <Form> (72)
free base

>  <CAS> (72)
19431-84-6

>  <URL> (72)
http://www.selleckchem.com/products/curcumenol.html

$$$$
Torin 1.cdx
csChFnd80/06012109282D

 45 51  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (73)
2008

>  <Formula> (73)
C35H28F3N5O2

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Torin 1

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mTOR

>  <Form> (73)
Free Base

>  <CAS> (73)
1222998-36-8

>  <URL> (73)
http://www.selleckchem.com/products/torin-1.html

$$$$
KY02111.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (74)
2016

>  <Formula> (74)
C18H17ClN2O3S

>  <MolWeight> (74)
376.85718

>  <Cat> (74)
S7096

>  <Name> (74)
KY02111

>  <Synonyms> (74)
N/A

>  <Target> (74)
Wnt/beta-catenin

>  <Form> (74)
Free Base

>  <CAS> (74)
1118807-13-8

>  <URL> (74)
https://www.selleckchem.com/products/ky02111.html

$$$$
TCID.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (75)
2035

>  <Formula> (75)
C9H2Cl4O2

>  <MolWeight> (75)
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>  <Cat> (75)
S7140

>  <Name> (75)
TCID

>  <Synonyms> (75)
UCH-L3 Inhibitor

>  <Target> (75)
DUB

>  <Form> (75)
Free Base

>  <CAS> (75)
30675-13-9

>  <URL> (75)
http://www.selleckchem.com/products/tcid.html

$$$$
IU1.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (76)
2037

>  <Formula> (76)
C18H21FN2O

>  <MolWeight> (76)
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>  <Cat> (76)
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>  <Name> (76)
IU1

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N/A

>  <Target> (76)
Proteasome

>  <Form> (76)
Free Base

>  <CAS> (76)
314245-33-5

>  <URL> (76)
http://www.selleckchem.com/products/iu1.html

$$$$
LDN-57444.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (77)
2047

>  <Formula> (77)
C17H11Cl3N2O3

>  <MolWeight> (77)
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>  <Cat> (77)
S7135

>  <Name> (77)
LDN-57444

>  <Synonyms> (77)
N/A

>  <Target> (77)
Proteasome

>  <Form> (77)
Free Base

>  <CAS> (77)
668467-91-2

>  <URL> (77)
http://www.selleckchem.com/products/ldn-57444.html

$$$$
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DUB

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882257-11-6

>  <URL> (78)
http://www.selleckchem.com/products/p5091-p005091.html

$$$$
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csChFnd80/06012109282D

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P-Cinnamoylphenol

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free base

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2657-25-2

>  <URL> (79)
http://selleckchem.com/products/hydroxychalcone.html

$$$$
Tenovin-1.cdx
csChFnd80/06012109282D

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Tenovin-1

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N/A

>  <Target> (80)
p53

>  <Form> (80)
Free Base

>  <CAS> (80)
380315-80-0

>  <URL> (80)
http://www.selleckchem.com/products/tenovin-1.html

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/06012109282D

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>  <MolWeight> (81)
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IWR-1-endo

>  <Synonyms> (81)
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Wnt/beta-catenin

>  <Form> (81)
Free Base

>  <CAS> (81)
1127442-82-3

>  <URL> (81)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
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935888-69-0

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1197160-78-3

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2514

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C33H44F2N2O3

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Omaveloxolone (RTA-408)

>  <Synonyms> (91)
N/A

>  <Target> (91)
NF-¦ÊB

>  <Form> (91)
Free Base

>  <CAS> (91)
1474034-05-3

>  <URL> (91)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

$$$$
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csChFnd80/06012109282D

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>  <Mol_ID> (92)
2547

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C19H16ClN5O6S

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477.87824

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S7933

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VR23

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N/A

>  <Target> (92)
Proteasome

>  <Form> (92)
Free Base

>  <CAS> (92)
1624602-30-7

>  <URL> (92)
http://www.selleckchem.com/products/vr23.html

$$$$
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csChFnd80/06012109282D

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>  <Mol_ID> (93)
2557

>  <Formula> (93)
C21H23N5O4S

>  <MolWeight> (93)
441.50342

>  <Cat> (93)
S7851

>  <Name> (93)
AZD3264

>  <Synonyms> (93)
N/A

>  <Target> (93)
I¦ÊB/IKK

>  <Form> (93)
Free Base

>  <CAS> (93)
1609281-86-8

>  <URL> (93)
http://www.selleckchem.com/products/azd3264.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/06012109282D

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>  <Mol_ID> (94)
2561

>  <Formula> (94)
C21H25ClN2O2

>  <MolWeight> (94)
372.8884

>  <Cat> (94)
S8483

>  <Name> (94)
CBL0137(CBL-0137)

>  <Synonyms> (94)
CBLC137, Curaxin 137

>  <Target> (94)
FACT,p53,NF-¦ÊB 

>  <Form> (94)
hydrochloride

>  <CAS> (94)
1197397-89-9

>  <URL> (94)
http://www.selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
Bardoxolone Methyl.cdx
csChFnd80/06012109282D

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Bardoxolone Methyl

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I¦ÊB/IKK

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218600-53-4

>  <URL> (95)
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1345675-02-6

>  <URL> (96)
http://www.selleckchem.com/products/etp-46464.html

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mTOR

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Free Base

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1251156-08-7

>  <URL> (97)
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p97

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1418013-75-8

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$$$$
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csChFnd80/06012109282D

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Caffeic acid phenethyl ester(CAPE)

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NF-¦ÊB

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104594-70-9

>  <URL> (101)
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Wnt/beta-catenin

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1243244-14-5

>  <URL> (102)
http://www.selleckchem.com/products/lgk-974.html

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1427782-89-5

>  <URL> (103)
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343351-67-7

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838818-26-1

>  <URL> (105)
http://www.selleckchem.com/products/wiki4.html

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1364488-67-4

>  <URL> (106)
http://www.selleckchem.com/products/yh239-ee.html

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1572414-83-5

>  <URL> (107)
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Wnt/beta-catenin

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Free Base

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686770-61-6

>  <URL> (109)
http://www.selleckchem.com/products/iwp-2.html

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Proteasome

>  <Form> (110)
Free Base

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1401223-22-0

>  <URL> (110)
http://www.selleckchem.com/products/pi-1840.html

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M  END
>  <Mol_ID> (112)
2866

>  <Formula> (112)
C52H79N5O12

>  <MolWeight> (112)
966.20996

>  <Cat> (112)
S7091

>  <Name> (112)
Zotarolimus (ABT-578)

>  <Synonyms> (112)
N/A

>  <Target> (112)
mTOR

>  <Form> (112)
Free Base

>  <CAS> (112)
221877-54-9

>  <URL> (112)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
PD 151746 .cdx
csChFnd80/06012109282D

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M  END
>  <Mol_ID> (113)
2867

>  <Formula> (113)
C11H8FNO2S

>  <MolWeight> (113)
237.2501232

>  <Cat> (113)
S7424

>  <Name> (113)
PD 151746

>  <Synonyms> (113)
N/A

>  <Target> (113)
Cysteine Protease

>  <Form> (113)
Free Base

>  <CAS> (113)
179461-52-0

>  <URL> (113)
http://www.selleckchem.com/products/pd-151746.html

$$$$
WS6 .cdx
csChFnd80/06012109282D

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M  END
>  <Mol_ID> (114)
2903

>  <Formula> (114)
C29H31F3N6O3

>  <MolWeight> (114)
568.5900496

>  <Cat> (114)
S7442

>  <Name> (114)
WS6

>  <Synonyms> (114)
N/A

>  <Target> (114)
I¦ÊB/IKK

>  <Form> (114)
Free Base

>  <CAS> (114)
1421227-53-3

>  <URL> (114)
http://www.selleckchem.com/products/ws6.html

$$$$
MG 101.cdx
csChFnd80/06012109282D

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Oxalate

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>  <URL> (115)
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196309-76-9

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675576-97-3

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Idasanutlin (RG-7388)

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Mdm2

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Free Base

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1229705-06-9

>  <URL> (119)
http://www.selleckchem.com/products/idasanutlin-rg-7388.html

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Calpeptin

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N/A

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Cysteine Protease

>  <Form> (120)
Free Base

>  <CAS> (120)
117591-20-5

>  <URL> (120)
http://www.selleckchem.com/products/calpeptin.html

$$$$
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MI-773 (SAR405838)

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N/A

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Mdm2

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Free Base

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1303607-60-4

>  <URL> (121)
http://www.selleckchem.com/products/mi-773-sar405838.html

$$$$
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I¦ÊB/IKK

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946518-60-1

>  <URL> (122)
http://www.selleckchem.com/products/ly2409881.html

$$$$
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RO5045337

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Mdm2

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939981-39-2

>  <URL> (124)
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Spautin-1.cdx
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1262888-28-7

>  <URL> (125)
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>  <URL> (126)
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$$$$
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C13H14N6O

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Voxtalisib (XL765, SAR245409)

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N/A

>  <Target> (127)
PI3K

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Free Base

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934493-76-2

>  <URL> (127)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

$$$$
PS-1145.cdx
csChFnd80/06012109282D

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3104

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C17H11ClN4O

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S7691

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PS-1145

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N/A

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I¦ÊB/IKK

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Free base

>  <CAS> (128)
431898-65-6

>  <URL> (128)
http://www.selleckchem.com/products/ps-1145.html

$$$$
CC-223.cdx
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>  <Mol_ID> (129)
3131

>  <Formula> (129)
C21H27N5O3

>  <MolWeight> (129)
397.47078

>  <Cat> (129)
S7886

>  <Name> (129)
CC-223

>  <Synonyms> (129)
N/A

>  <Target> (129)
mTOR

>  <Form> (129)
Free Base

>  <CAS> (129)
1228013-30-6

>  <URL> (129)
http://www.selleckchem.com/products/cc-223.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (130)
3139

>  <Formula> (130)
C19H19ClN4O3

>  <MolWeight> (130)
386.83216

>  <Cat> (130)
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>  <Name> (130)
Wnt agonist 1

>  <Synonyms> (130)
N/A

>  <Target> (130)
Wnt/beta-catenin

>  <Form> (130)
Hydrochloride

>  <CAS> (130)
853220-52-7(free-base)

>  <URL> (130)
http://www.selleckchem.com/products/wnt-agonist-1.html

$$$$
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 23 24  1  0  0  0  0
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 15 25  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
A   35
xHCl
M  END
>  <Mol_ID> (131)
3183

>  <Formula> (131)
C26H36N6O2R

>  <MolWeight> (131)
464.60304

>  <Cat> (131)
S7948

>  <Name> (131)
MRT67307 HCl

>  <Synonyms> (131)
N/A

>  <Target> (131)
I¦ÊB/IKK

>  <Form> (131)
hydrochloride

>  <CAS> (131)
1190378-57-4 (free-base)

>  <URL> (131)
http://www.selleckchem.com/products/mrt67307.html

$$$$
IQ-1.cdx
csChFnd80/06012109282D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (132)
3224

>  <Formula> (132)
C21H22N4O2

>  <MolWeight> (132)
362.42498

>  <Cat> (132)
S8248

>  <Name> (132)
IQ-1

>  <Synonyms> (132)
N/A

>  <Target> (132)
Wnt/beta-catenin

>  <Form> (132)
Free Base

>  <CAS> (132)
331001-62-8

>  <URL> (132)
http://www.selleckchem.com/products/iq-1.html

$$$$
LY3023414.cdx
csChFnd80/06012109282D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8558    6.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (133)
3243

>  <Formula> (133)
C23H26N4O3

>  <MolWeight> (133)
406.47754

>  <Cat> (133)
S8322

>  <Name> (133)
LY3023414

>  <Synonyms> (133)
GTPL8918

>  <Target> (133)
Akt

>  <Form> (133)
Free Base

>  <CAS> (133)
1386874-06-1

>  <URL> (133)
http://www.selleckchem.com/products/ly3023414.html

$$$$
Epoxomicin.cdx
csChFnd80/06012109282D

 39 39  0  0  0  0  0  0  0  0999 V2000
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   14.1608    2.7855    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (134)
3250

>  <Formula> (134)
C28H50N4O7

>  <MolWeight> (134)
554.7192

>  <Cat> (134)
S7038

>  <Name> (134)
Epoxomicin (BU-4061T)

>  <Synonyms> (134)
N/A

>  <Target> (134)
Proteasome

>  <Form> (134)
Free Base

>  <CAS> (134)
134381-21-8

>  <URL> (134)
http://www.selleckchem.com/products/epoxomicin-bu-4061t.html

$$$$
S4712 Diethylmaleate.cdx
csChFnd80/06012109282D

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  2  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (135)
3265

>  <Formula> (135)
C8H12O4

>  <MolWeight> (135)
172.17848

>  <Cat> (135)
S4712

>  <Name> (135)
Diethylmaleate

>  <Target> (135)
Others

>  <Form> (135)
Free Base

>  <CAS> (135)
141-05-9

>  <URL> (135)
http://www.selleckchem.com/products/diethylmaleate.html

$$$$
Shikonin.cdx
csChFnd80/06012109282D

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3269

>  <Formula> (136)
C16H16O5

>  <MolWeight> (136)
288.29524

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S8279

>  <Name> (136)
Shikonin

>  <Synonyms> (136)
N/A

>  <Target> (136)
Others

>  <Form> (136)
Free Base

>  <CAS> (136)
517-89-5

>  <URL> (136)
http://www.selleckchem.com/products/shikonin.html

$$$$
KYA1797K.cdx
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>  <Mol_ID> (137)
3271

>  <Formula> (137)
C17H11KN2O6S2

>  <MolWeight> (137)
442.50734

>  <Cat> (137)
S8327

>  <Name> (137)
KYA1797K

>  <Synonyms> (137)
N/A

>  <Target> (137)
Wnt/beta-catenin

>  <Form> (137)
potassium salt

>  <CAS> (137)
1956356-56-1

>  <URL> (137)
http://www.selleckchem.com/products/kya1797k.html

$$$$
SKL2001.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (138)
3301

>  <Formula> (138)
C14H14N4O3

>  <MolWeight> (138)
286.28596

>  <Cat> (138)
S8320

>  <Name> (138)
SKL2001

>  <Synonyms> (138)
N/A

>  <Target> (138)
Wnt/beta-catenin

>  <Form> (138)
Free Base

>  <CAS> (138)
909089-13-0

>  <URL> (138)
http://www.selleckchem.com/products/skl2001.html

$$$$
untitled.cdx
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>  <Mol_ID> (139)
3305

>  <Formula> (139)
C38H47ClN4O4

>  <MolWeight> (139)
659.25718

>  <Cat> (139)
S7875

>  <Name> (139)
NVP-CGM097

>  <Synonyms> (139)
CGM-097, CGM 097, CGM 097, NVP CGM097

>  <Target> (139)
E3 Ligase

>  <Form> (139)
Free Base

>  <CAS> (139)
1313363-54-0

>  <URL> (139)
http://www.selleckchem.com/products/nvp-cgm097.html

$$$$
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1382979-44-3

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1346547-00-9

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http://www.selleckchem.com/products/gsk583.html

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Wnt/beta-catenin

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Free Base

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113906-27-7

>  <URL> (146)
http://www.selleckchem.com/products/pnu-74654.html

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300817-68-9

>  <URL> (147)
http://www.selleckchem.com/products/bh3i-1.html

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E3 Ligase

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1015474-32-4

>  <URL> (148)
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125314-13-8

>  <URL> (149)
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3408

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C20H24N4O2S2

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416.56016

>  <Cat> (150)
S8474

>  <Name> (150)
LF3

>  <Synonyms> (150)
N/A

>  <Target> (150)
Wnt/beta-catenin

>  <Form> (150)
Free Base

>  <CAS> (150)
664969-54-4

>  <URL> (150)
http://www.selleckchem.com/products/lf3.html

$$$$
VLX1570.cdx
csChFnd80/06012109282D

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>  <Mol_ID> (151)
3424

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C23H17F2N3O6

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>  <Cat> (151)
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>  <Name> (151)
VLX1570

>  <Synonyms> (151)
N/A

>  <Target> (151)
DUB

>  <Form> (151)
free base

>  <CAS> (151)
1431280-51-1

>  <URL> (151)
http://www.selleckchem.com/products/vlx1570.html

$$$$
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>  <Mol_ID> (152)
3446

>  <Formula> (152)
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>  <MolWeight> (152)
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>  <Cat> (152)
S8317

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3BDO

>  <Synonyms> (152)
3-benzyl-5-((2-nitrophenoxy) methyl)-dihydrofuran-2(3H)-one

>  <Target> (152)
FKBP1A

>  <Form> (152)
free base

>  <CAS> (152)
890405-51-3

>  <URL> (152)
http://www.selleckchem.com/products/3bdo.html

$$$$
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>  <Mol_ID> (153)
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>  <Formula> (153)
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>  <MolWeight> (153)
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>  <Cat> (153)
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>  <Name> (153)
GSK2982772

>  <Synonyms> (153)
N/A

>  <Target> (153)
human RIP1

>  <Form> (153)
free base

>  <CAS> (153)
1622848-92-3

>  <URL> (153)
http://www.selleckchem.com/products/gsk2982772.html

$$$$
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1174428-47-7

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Porcupine

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free base

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1243245-18-2

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http://www.selleckchem.com/products/gnf-6231.html

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Wnt/¦Â-catenin

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free base

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901751-47-1

>  <URL> (156)
http://www.selleckchem.com/products/icrt3.html

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300802-28-2

>  <URL> (157)
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M  END
>  <Mol_ID> (158)
3606

>  <Formula> (158)
C15H10O5

>  <MolWeight> (158)
270.2369

>  <Cat> (158)
S8696

>  <Name> (158)
2-D08
2-D08

>  <Synonyms> (158)
2',3',4'-trihydroxy flavone

>  <Target> (158)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (158)
free base

>  <CAS> (158)
144707-18-6

>  <URL> (158)
http://selleckchem.com/products/2-d08.html

$$$$
IWP-O1.cdx
csChFnd80/06012109292D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 33 13  1  0  0  0  0
M  END
>  <Mol_ID> (159)
3639

>  <Formula> (159)
C26H20N6O

>  <MolWeight> (159)
432.4766

>  <Cat> (159)
S8645

>  <Name> (159)
IWP-O1

>  <Synonyms> (159)
N/A

>  <Target> (159)
Wnt/beta-catenin

>  <Form> (159)
free base

>  <CAS> (159)
2074607-48-8

>  <URL> (159)
http://selleckchem.com/products/iwp-O1.html

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/06012109292D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (160)
3666

>  <Formula> (160)
C18H13BrN2O4S2

>  <MolWeight> (160)
465.34082

>  <Cat> (160)
S8652

>  <Name> (160)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (160)
N/A

>  <Target> (160)
CDK

>  <CAS> (160)
432001-69-9

>  <URL> (160)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
S5315  PRT4165.cdx
csChFnd80/06012109292D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (161)
3745

>  <Formula> (161)
C15H9NO2

>  <MolWeight> (161)
235.23746

>  <Cat> (161)
S5315

>  <Name> (161)
PRT4165

>  <Synonyms> (161)
N/A

>  <Target> (161)
E3 Ligase ,BMI-1

>  <Form> (161)
free base

>  <CAS> (161)
31083-55-3

>  <URL> (161)
http://selleckchem.com/products/prt4165.html

$$$$
GSK'963.cdx
csChFnd80/06012109292D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (162)
3819

>  <Formula> (162)
C14H18N2O

>  <MolWeight> (162)
230.30552

>  <Cat> (162)
S8642

>  <Name> (162)
GSK'963

>  <Synonyms> (162)
N/A

>  <Target> (162)
NF-¦ÊB,TNF-alpha

>  <Form> (162)
free base

>  <CAS> (162)
2049868-46-2

>  <URL> (162)
http://selleckchem.com/products/gsk963.html

$$$$
S9416 Triptonide.cdx
csChFnd80/06012109292D

 27 33  0  0  0  0  0  0  0  0999 V2000
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free base

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38647-11-9

$$$$
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csChFnd80/06012109292D

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C22H34O3

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Ginkgolic Acid

>  <Form> (164)
free base

>  <CAS> (164)
22910-60-7

$$$$
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csChFnd80/06012109292D

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C20H32O3

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S9445

>  <Name> (165)
Ginkgolic Acid (C130)

>  <Form> (165)
free base

>  <CAS> (165)
20261-38-5

$$$$

csChFnd80/06012109292D

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65836-72-8

>  <URL> (166)
http://www.selleckchem.com/products/dkm2-93.html

$$$$

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>  <Target> (167)
PI3K

>  <Form> (167)
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>  <CAS> (167)
1225037-39-7

>  <URL> (167)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

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M  END
>  <Mol_ID> (168)
4271

>  <Formula> (168)
C29H24FN7O

>  <MolWeight> (168)
505.5455632

>  <Cat> (168)
S8761

>  <Name> (168)
Adavivint (SM04690)

>  <Synonyms> (168)
N/A

>  <Target> (168)
Wnt/beta-catenin

>  <Form> (168)
Free Base

>  <CAS> (168)
1467093-03-3

>  <URL> (168)
http://www.selleckchem.com/products/adavivint.html

$$$$
S9106 Eleutheroside E.cdx
csChFnd80/06012109292D

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M  END
>  <Mol_ID> (169)
4347

>  <Formula> (169)
C34H46O18

>  <MolWeight> (169)
742.71824

>  <Cat> (169)
S9106

>  <Name> (169)
Eleutheroside E

>  <Form> (169)
free base

>  <CAS> (169)
39432-56-9

$$$$
S9159 Momordin Ic.cdx
csChFnd80/06012109292D

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M  END
>  <Mol_ID> (170)
4390

>  <Formula> (170)
C41H64O13

>  <MolWeight> (170)
764.93906

>  <Cat> (170)
S9159

>  <Name> (170)
Momordin Ic

>  <Form> (170)
free base

>  <CAS> (170)
96990-18-0

$$$$
S9042 Wedelolactone.cdx
csChFnd80/06012109292D

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free base

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524-12-9

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>  <Synonyms> (172)
N/A

>  <Target> (172)
Wnt/beta-catenin

>  <Form> (172)
Free Base

>  <CAS> (172)
915759-45-4

>  <URL> (172)
http://www.selleckchem.com/products/way-316606.html

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N/A

>  <Target> (173)
Immunology & Inflamm

>  <Form> (173)
free base

>  <CAS> (173)
1323403-33-3

>  <URL> (173)
http://www.selleck.cn/products/iberdomide.html

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>  <Formula> (174)
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>  <Name> (174)
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>  <Synonyms> (174)
N/A

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DUB

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>  <CAS> (174)
1991986-30-1

>  <URL> (174)
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 11 16  1  0  0  0  0
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 13 17  2  0  0  0  0
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 14 22  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
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 19 24  2  0  0  0  0
 20 21  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (175)
6914

>  <Formula> (175)
C17H16BrF4NO2

>  <MolWeight> (175)
422.2120528

>  <Cat> (175)
S8904

>  <Name> (175)
USP25/28 inhibitor AZ1

>  <Synonyms> (175)
N/A

>  <Target> (175)
DUB

>  <Form> (175)
Free Base

>  <CAS> (175)
2165322-94-9

>  <URL> (175)
http://www.selleck.cn/products/usp25-28-inhibitor-az1.html

$$$$

csChFnd80/06012109292D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2 14  2  0  0  0  0
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  8 15  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
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 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (176)
7007

>  <Formula> (176)
C15H12N2O7

>  <MolWeight> (176)
332.26498

>  <Cat> (176)
S6794

>  <Name> (176)
Thalidomide-O-COOH (Cereblon ligand 3)

>  <Synonyms> (176)
E3 ligase Ligand 3

>  <Target> (176)
E3 ligase Ligand

>  <Form> (176)
Free Base

>  <CAS> (176)
1061605-21-7

>  <URL> (176)
http://www.selleckchem.com/products/thalidomide-o-cooh.html

$$$$

csChFnd80/06012109292D

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 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  2  0  0  0  0
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M  END
>  <Mol_ID> (177)
7030

>  <Formula> (177)
C43H46F3N7O7S

>  <MolWeight> (177)
861.9282496

>  <Cat> (177)
S8888

>  <Name> (177)
GMB-475

>  <Synonyms> (177)
N/A

>  <Target> (177)
PROTAC

>  <Form> (177)
Free Base

>  <CAS> (177)
no cas

>  <URL> (177)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/06012109292D

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (178)
7077

>  <Formula> (178)
C21H22ClNO

>  <MolWeight> (178)
339.85848

>  <Cat> (178)
S4922

>  <Name> (178)
NSC632839

>  <Synonyms> (178)
N/A

>  <Target> (178)
DUB

>  <Form> (178)
Free Base

>  <CAS> (178)
157654-67-6

>  <URL> (178)
http://www.selleckchem.com/products/nsc-632839.html

$$$$

csChFnd80/06012109292D

 38 42  0  0  0  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (179)
7123

>  <Formula> (179)
C29H32N4O4S

>  <MolWeight> (179)
532.65378

>  <Cat> (179)
S0095

>  <Name> (179)
VL285

>  <Target> (179)
E3 Ligase 

>  <Form> (179)
free base

>  <CAS> (179)
1448188-57-5

>  <URL> (179)
http://www.selleckchem.com/products/vl285.html

$$$$

csChFnd80/06012109292D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 23 29  1  6  0  0  0
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M  END
>  <Mol_ID> (180)
7124

>  <Formula> (180)
C22H30N4O3S

>  <MolWeight> (180)
430.5636

>  <Cat> (180)
S0097

>  <Name> (180)
(S,R,S)-AHPC (MDK7526)

>  <Target> (180)
E3 Ligase 

>  <Form> (180)
free base

>  <CAS> (180)
1448297-52-6

>  <URL> (180)
http://www.selleckchem.com/products/s-r-s-ahpc-mdk7526.html

$$$$

csChFnd80/06012109292D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (181)
7139

>  <Formula> (181)
C23H25ClN4O

>  <MolWeight> (181)
408.9238

>  <Cat> (181)
S0219

>  <Name> (181)
ML241 hydrochloride

>  <Target> (181)
ATPase

>  <Form> (181)
free base

>  <CAS> (181)
2070015-13-1

>  <URL> (181)
http://www.selleckchem.com/products/ml-241-hcl.html

$$$$

csChFnd80/06012109292D

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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
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 18 13  1  0  0  0  0
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 26 21  1  0  0  0  0
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M  END
>  <Mol_ID> (182)
7153

>  <Formula> (182)
C23H29Cl2N3O

>  <MolWeight> (182)
434.40186

>  <Cat> (182)
S0346

>  <Name> (182)
NAcM-OPT

>  <Target> (182)
E2 conjugating

>  <Form> (182)
free base

>  <CAS> (182)
2089293-61-6

>  <URL> (182)
http://www.selleckchem.com/products/nacm-opt.html

$$$$

csChFnd80/06012109292D

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  6 13  1  0  0  0  0
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  4  6  1  0  0  0  0
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M  END
>  <Mol_ID> (183)
7157

>  <Formula> (183)
C17H9NO3

>  <MolWeight> (183)
275.25826

>  <Cat> (183)
S0399

>  <Name> (183)
SJB2-043

>  <Target> (183)
DUB

>  <Form> (183)
free base

>  <CAS> (183)
63388-44-3

>  <URL> (183)
http://www.selleckchem.com/products/sjb2-043.html

$$$$

csChFnd80/06012109292D

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 10 13  1  0  0  0  0
 11 16  2  0  0  0  0
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 18 25  2  0  0  0  0
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M  END
>  <Mol_ID> (184)
7242

>  <Formula> (184)
C23H23NO6

>  <MolWeight> (184)
409.43182

>  <Cat> (184)
S3269

>  <Name> (184)
Acetylcorynoline

>  <Target> (184)
Anti-infection

>  <Form> (184)
free base

>  <CAS> (184)
18797-80-3

>  <URL> (184)
http://www.selleckchem.com/products/acetylcorynoline.html

$$$$

csChFnd80/06012109292D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (185)
7293

>  <Formula> (185)
C20H20N2O

>  <MolWeight> (185)
304.3856

>  <Cat> (185)
S6845

>  <Name> (185)
GRL0617

>  <Target> (185)
DUB

>  <Form> (185)
free base

>  <CAS> (185)
1093070-16-6

>  <URL> (185)
http://www.selleckchem.com/products/grl0617.html

$$$$

csChFnd80/06012109292D

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>  <Mol_ID> (186)
7296

>  <Formula> (186)
C28H23Cl5N2O2

>  <MolWeight> (186)
596.75942

>  <Cat> (186)
S6851

>  <Name> (186)
RA-190

>  <Target> (186)
Proteasome

>  <Form> (186)
free base

>  <CAS> (186)
1617495-03-0

>  <URL> (186)
http://www.selleckchem.com/products/ra-190.html

$$$$

csChFnd80/06012109292D

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>  <Mol_ID> (187)
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>  <Formula> (187)
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free base

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1699750-95-2

>  <URL> (187)
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DUB

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free base

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2449301-27-1

>  <URL> (188)
http://www.selleckchem.com/products/gsk2643943a.html

$$$$

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7322

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C22H26N2O4

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382.45284

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S7394

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MDL-28170

>  <Target> (189)
Cysteine Protease

>  <Form> (189)
free base

>  <CAS> (189)
88191-84-8

>  <URL> (189)
http://www.selleckchem.com/products/mdl-28170.html

$$$$

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7325

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>  <Cat> (190)
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VH298

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E3 Ligase 

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free base

>  <CAS> (190)
2097381-85-4

>  <URL> (190)
http://www.selleckchem.com/products/vh298.html

$$$$

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>  <Formula> (191)
C32H30FN5O4

>  <MolWeight> (191)
567.6101032

>  <Cat> (191)
S8975

>  <Name> (191)
CC-92480

>  <Target> (191)
E3 Ligase 

>  <Form> (191)
free base

>  <CAS> (191)
2259648-80-9

>  <URL> (191)
http://www.selleckchem.com/products/cc-92480.html

$$$$

csChFnd80/06012109292D

 27 28  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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  8 13  2  0  0  0  0
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  5  7  1  0  0  0  0
  2  5  1  0  0  0  0
 14 15  1  0  0  0  0
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  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
M  END
>  <Mol_ID> (192)
7356

>  <Formula> (192)
C13H14Cl3N7O4

>  <MolWeight> (192)
438.65376

>  <Cat> (192)
S9605

>  <Name> (192)
Apcin

>  <Target> (192)
E3 Ligase 

>  <Form> (192)
free base

>  <CAS> (192)
300815-04-7

>  <URL> (192)
http://www.selleckchem.com/products/apcin.html

$$$$

csChFnd80/06012109292D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   12.1036    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 25  2  0  0  0  0
  5  3  1  0  0  0  0
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  4 21  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
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 10 15  1  0  0  0  0
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 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
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M  END
>  <Mol_ID> (193)
7384

>  <Formula> (193)
C22H22N2O2

>  <MolWeight> (193)
346.42228

>  <Cat> (193)
S0515

>  <Name> (193)
PLpro inhibitor

>  <Synonyms> (193)
N/A

>  <Target> (193)
DUB. Anti-infection

>  <Form> (193)
Free Base

>  <CAS> (193)
1093070-14-4

>  <URL> (193)
https://www.selleckchem.com/products/plpro-inhibitor.html

$$$$

csChFnd80/06012109292D

 78 87  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (194)
7448

>  <Formula> (194)
C50H83NO21

>  <MolWeight> (194)
1034.18812

>  <Cat> (194)
S9444

>  <Name> (194)
Tomatine

>  <Synonyms> (194)
lycopersicin

>  <Target> (194)
Anti-infection

>  <Form> (194)
Free Base

>  <CAS> (194)
17406-45-0

>  <URL> (194)
https://www.selleckchem.com/products/tomatine.html

$$$$

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N/A

>  <Target> (195)
DUB. Apoptosis

>  <Form> (195)
Free Base

>  <CAS> (195)
919091-63-7

>  <URL> (195)
https://www.selleckchem.com/products/ra-9.html

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>  <Formula> (196)
C40H52N8O10S2

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>  <Target> (196)
CDK. PROTAC. E3 Ligase

>  <Form> (196)
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>  <CAS> (196)
2139287-33-3

>  <URL> (196)
https://www.selleckchem.com/products/thal-sns-032.html

$$$$

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E3 Ligase 

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Free Base

>  <CAS> (197)
222716-34-9

>  <URL> (197)
http://www.selleckchem.com/products/szl-p1-41.html

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   13.1388    4.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9235    0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1443    2.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2859    3.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8483    7.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6224    7.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713    4.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6480    4.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    3.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    2.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2284    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227    4.2388    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 31  1  0  0  0  0
  3 14  1  0  0  0  0
  3 34  1  0  0  0  0
  4 20  1  0  0  0  0
  4 34  1  0  0  0  0
  5 20  2  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 23  2  0  0  0  0
  9 24  2  0  0  0  0
 10 25  2  0  0  0  0
 11 27  2  0  0  0  0
 15 12  1  6  0  0  0
 12 23  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 31  2  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (198)
7879

>  <Formula> (198)
C20H23BCl2N2O9

>  <MolWeight> (198)
517.12162

>  <Cat> (198)
S4432

>  <Name> (198)
Ixazomib Citrate (MLN9708)

>  <Synonyms> (198)
Ninlaro

>  <Target> (198)
Proteasome

>  <Form> (198)
Free Base

>  <CAS> (198)
1239908-20-3

>  <URL> (198)
http://www.selleckchem.com/products/ixazomib-citrate.html

$$$$
