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PubMed code 22650325

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50353441
PNG
(CHEMBL1829786)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C30H34N2O6S/c1-21-8-15-26(16-9-21)39(37,38)31(2)20-29(34)32(25-14-17-27(30(35)36)28(33)18-25)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h8-18,23,33H,3-7,19-20H2,1-2H3,(H,35,36)
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 1.50E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 SH2 domain assessed as inhibition of STAT3 SH2-phosphotyrosine interaction after 15 mins by fluorescence polarization assay

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50382459
PNG
(CHEMBL2023986 | US10196373, Compound 27NH)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C37H33N3O7S/c1-24-3-18-32(19-4-24)48(46,47)39(2)23-35(42)40(31-17-20-33(37(44)45)34(41)21-31)22-25-5-7-26(8-6-25)27-9-11-28(12-10-27)29-13-15-30(16-14-29)36(38)43/h3-21,41H,22-23H2,1-2H3,(H2,38,43)(H,44,45)
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 1.67E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 SH2 domain assessed as inhibition of STAT3 SH2-phosphotyrosine interaction after 15 mins by fluorescence polarization assay

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396178
PNG
(CHEMBL2172014)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)c1ccc(cc1)C#N)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H36N4O6S/c1-25-3-14-32(15-4-25)47(45,46)38(2)24-35(42)40(31-13-16-33(36(43)44)34(41)21-31)23-27-5-9-28(10-6-27)29-17-19-39(20-18-29)30-11-7-26(22-37)8-12-30/h3-16,21,29,41H,17-20,23-24H2,1-2H3,(H,43,44)
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 1.87E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 SH2 domain assessed as inhibition of STAT3 SH2-phosphotyrosine interaction after 15 mins by fluorescence polarization assay

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50382461
PNG
(CHEMBL2023987 | US10196373, Compound 27KG)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H36N4O8S2/c1-25-3-12-31(13-4-25)49(45,46)38(2)24-35(42)40(30-11-16-33(36(43)44)34(41)21-30)23-27-5-9-28(10-6-27)29-17-19-39(20-18-29)50(47,48)32-14-7-26(22-37)8-15-32/h3-16,21,29,41H,17-20,23-24H2,1-2H3,(H,43,44)
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 2.15E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 SH2 domain assessed as inhibition of STAT3 SH2-phosphotyrosine interaction after 15 mins by fluorescence polarization assay

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396179
PNG
(CHEMBL2172013)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C29H31NO7S/c1-20-7-14-25(15-8-20)38(35,36)37-19-28(32)30(24-13-16-26(29(33)34)27(31)17-24)18-21-9-11-23(12-10-21)22-5-3-2-4-6-22/h7-17,22,31H,2-6,18-19H2,1H3,(H,33,34)
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 5.00E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 SH2 domain assessed as inhibition of STAT3 SH2-phosphotyrosine interaction after 15 mins by fluorescence polarization assay

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM20283
PNG
(2-hydroxy-4-(2-{[(4-methylbenzene)sulfonyl]oxy}ace...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
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 8.00E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 SH2 domain assessed as inhibition of STAT3 SH2-phosphotyrosine interaction after 15 mins by fluorescence polarization assay

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50423685
PNG
(CHEMBL502473)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C36H57N8O13P/c1-18(2)16-26(41-33(50)25(39-21(6)46)17-22-9-11-23(12-10-22)57-58(54,55)56)36(53)44-15-7-8-27(44)34(51)40-24(13-14-28(37)47)32(49)43-30(20(5)45)35(52)42-29(19(3)4)31(38)48/h9-12,18-20,24-27,29-30,45H,7-8,13-17H2,1-6H3,(H2,37,47)(H2,38,48)(H,39,46)(H,40,51)(H,41,50)(H,42,52)(H,43,49)(H2,54,55,56)/t20-,24-,25-,26-,27-,29-,30-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 assessed as suppression of STAT3-DNA interaction by EMSA

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396176
PNG
(CHEMBL207155)
Show SMILES c1cc2nc1cc1ccc([nH]1)c(-c1ccccc1)c1ccc(cc3ccc(n3)c2-c2ccccc2)[nH]1
Show InChI InChI=1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33-34H/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-
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n/an/a 280n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 SH2 domain assessed as inhibition of STAT3 SH2-phosphotyrosine interaction by AlphaScreen assay

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM53072
PNG
((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
Show SMILES CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12-
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 expressed in human HCT116 cells after 24 hrs by luciferase reporter gene assay

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396169
PNG
(CHEMBL1337170)
Show SMILES [O-][N+](=O)c1ccc2C=CS(=O)(=O)c2c1 |c:7|
Show InChI InChI=1S/C8H5NO4S/c10-9(11)7-2-1-6-3-4-14(12,13)8(6)5-7/h1-5H
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 SH2 domain using 5-carboxyfluorescein-GY(PO3H2)LPQTV-NH2 as substrate preincubated for 60 mins prior to substrate addition by flu...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))		BDBM50396176
PNG
(CHEMBL207155)
Show SMILES c1cc2nc1cc1ccc([nH]1)c(-c1ccccc1)c1ccc(cc3ccc(n3)c2-c2ccccc2)[nH]1
Show InChI InChI=1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33-34H/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT1 SH2 domain assessed as inhibition of STAT1 SH2-phosphotyrosine interaction by AlphaScreen assay

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396172
PNG
(CHEMBL2172008)
Show SMILES CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)C(O)=O)C1=O
Show InChI InChI=1S/C17H13NO4S2/c1-2-18-15(19)14(24-17(18)23)9-12-7-8-13(22-12)10-3-5-11(6-4-10)16(20)21/h3-9H,2H2,1H3,(H,20,21)/b14-9-
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of IL6-mediated STAT3 phosphorylation in human HepG2 cells preincubated for 1 hr prior to IL6 challenge measured after 30 mins by immunobl...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396170
PNG
(CHEMBL2031566)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2c1O
Show InChI InChI=1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant STAT3 assessed as inhibition of STAT3-phosphododecapeptide interaction by SPR analysis

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM50396180
PNG
(CHEMBL2171897)
Show SMILES CCCCCCNC(=O)c1nc(sc1Cc1ccc(OP(O)(O)=O)cc1)-c1cccc2ccccc12
Show InChI InChI=1S/C27H29N2O5PS/c1-2-3-4-7-17-28-26(30)25-24(18-19-13-15-21(16-14-19)34-35(31,32)33)36-27(29-25)23-12-8-10-20-9-5-6-11-22(20)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,28,30)(H2,31,32,33)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM50396181
PNG
(CHEMBL2172017)
Show SMILES COc1cccc(NC(=O)c2nc(sc2Cc2ccc(OP(O)(O)=O)cc2)-c2ccccc2)c1
Show InChI InChI=1S/C24H21N2O6PS/c1-31-20-9-5-8-18(15-20)25-23(27)22-21(34-24(26-22)17-6-3-2-4-7-17)14-16-10-12-19(13-11-16)32-33(28,29)30/h2-13,15H,14H2,1H3,(H,25,27)(H2,28,29,30)
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396172
PNG
(CHEMBL2172008)
Show SMILES CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(cc2)C(O)=O)C1=O
Show InChI InChI=1S/C17H13NO4S2/c1-2-18-15(19)14(24-17(18)23)9-12-7-8-13(22-12)10-3-5-11(6-4-10)16(20)21/h3-9H,2H2,1H3,(H,20,21)/b14-9-
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant STAT3 assessed as inhibition of STAT3-phosphododecapeptide interaction by SPR analysis

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM50396183
PNG
(CHEMBL2172015)
Show SMILES OP(O)(=O)Oc1ccc(Cc2oc(nc2C(=O)Nc2ccc(cc2)C2CCCCC2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H29N2O6P/c32-28(30-24-15-13-22(14-16-24)21-7-3-1-4-8-21)27-26(36-29(31-27)23-9-5-2-6-10-23)19-20-11-17-25(18-12-20)37-38(33,34)35/h2,5-6,9-18,21H,1,3-4,7-8,19H2,(H,30,32)(H2,33,34,35)
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM50353441
PNG
(CHEMBL1829786)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C30H34N2O6S/c1-21-8-15-26(16-9-21)39(37,38)31(2)20-29(34)32(25-14-17-27(30(35)36)28(33)18-25)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h8-18,23,33H,3-7,19-20H2,1-2H3,(H,35,36)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM20273
PNG
((2S)-2-[(2S)-2-[(4-cyanophenyl)formamido]-3-[4-(ph...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(O)=O |r|
Show InChI InChI=1S/C23H26N3O8P/c1-14(2)11-20(23(29)30)26-22(28)19(25-21(27)17-7-3-16(13-24)4-8-17)12-15-5-9-18(10-6-15)34-35(31,32)33/h3-10,14,19-20H,11-12H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)(H2,31,32,33)/t19-,20-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM50382459
PNG
(CHEMBL2023986 | US10196373, Compound 27NH)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C37H33N3O7S/c1-24-3-18-32(19-4-24)48(46,47)39(2)23-35(42)40(31-17-20-33(37(44)45)34(41)21-31)22-25-5-7-26(8-6-25)27-9-11-28(12-10-27)29-13-15-30(16-14-29)36(38)43/h3-21,41H,22-23H2,1-2H3,(H2,38,43)(H,44,45)
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM50396179
PNG
(CHEMBL2172013)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C29H31NO7S/c1-20-7-14-25(15-8-20)38(35,36)37-19-28(32)30(24-13-16-26(29(33)34)27(31)17-24)18-21-9-11-23(12-10-21)22-5-3-2-4-6-22/h7-17,22,31H,2-6,18-19H2,1H3,(H,33,34)
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM50396178
PNG
(CHEMBL2172014)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)c1ccc(cc1)C#N)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H36N4O6S/c1-25-3-14-32(15-4-25)47(45,46)38(2)24-35(42)40(31-13-16-33(36(43)44)34(41)21-31)23-27-5-9-28(10-6-27)29-17-19-39(20-18-29)30-11-7-26(22-37)8-12-30/h3-16,21,29,41H,17-20,23-24H2,1-2H3,(H,43,44)
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM50382461
PNG
(CHEMBL2023987 | US10196373, Compound 27KG)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H36N4O8S2/c1-25-3-12-31(13-4-25)49(45,46)38(2)24-35(42)40(30-11-16-33(36(43)44)34(41)21-30)23-27-5-9-28(10-6-27)29-17-19-39(20-18-29)50(47,48)32-14-7-26(22-37)8-15-32/h3-16,21,29,41H,17-20,23-24H2,1-2H3,(H,43,44)
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM20282
PNG
(4-{[4-(hexylcarbamoyl)-2-(naphthalen-1-yl)-1,3-oxa...)
Show SMILES CCCCCCNC(=O)c1nc(oc1Cc1ccc(OP(O)(O)=O)cc1)-c1cccc2ccccc12
Show InChI InChI=1S/C27H29N2O6P/c1-2-3-4-7-17-28-26(30)25-24(18-19-13-15-21(16-14-19)35-36(31,32)33)34-27(29-25)23-12-8-10-20-9-5-6-11-22(20)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,28,30)(H2,31,32,33)
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396171
PNG
(CHEMBL2172009)
Show SMILES [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(o2)-c2cc(ccc2Cl)-[#6](-[#8])=O)-[#6]-1=O
Show InChI InChI=1S/C20H17ClN2O5S/c1-3-22-17(24)14(18(25)23(4-2)20(22)29)10-12-6-8-16(28-12)13-9-11(19(26)27)5-7-15(13)21/h5-10H,3-4H2,1-2H3,(H,26,27)
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n/an/a 6.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of IL6-mediated STAT3 phosphorylation in human HepG2 cells preincubated for 1 hr prior to IL6 challenge measured after 30 mins by immunobl...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396173
PNG
(CHEMBL2171900)
Show SMILES COC(=O)Cc1c(C)c2ccc(OCc3ccc(cc3)C(=O)OC)c(C)c2oc1=O
Show InChI InChI=1S/C23H22O7/c1-13-17-9-10-19(29-12-15-5-7-16(8-6-15)22(25)28-4)14(2)21(17)30-23(26)18(13)11-20(24)27-3/h5-10H,11-12H2,1-4H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of IL6-mediated STAT3 phosphorylation in human HepG2 cells preincubated for 1 hr prior to IL6 challenge measured after 30 mins by immunobl...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396170
PNG
(CHEMBL2031566)
Show SMILES OC(=O)CSc1cc(NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2c1O
Show InChI InChI=1S/C19H15NO7S2/c21-17(22)10-28-16-9-15(13-3-1-2-4-14(13)18(16)23)20-29(26,27)12-7-5-11(6-8-12)19(24)25/h1-9,20,23H,10H2,(H,21,22)(H,24,25)
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n/an/a 7.30E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of IL6-mediated STAT3 phosphorylation in human HepG2 cells preincubated for 1 hr prior to IL6 challenge measured after 30 mins by immunobl...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM20283
PNG
(2-hydroxy-4-(2-{[(4-methylbenzene)sulfonyl]oxy}ace...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
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n/an/a 8.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM20283
PNG
(2-hydroxy-4-(2-{[(4-methylbenzene)sulfonyl]oxy}ace...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
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n/an/a 8.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in EGF-stimulated mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction aft...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM50396182
PNG
(CHEMBL2172016)
Show SMILES COc1cccc(NC(=O)c2nc(oc2Cc2ccc(OP(O)(O)=O)cc2)-c2ccccc2)c1
Show InChI InChI=1S/C24H21N2O7P/c1-31-20-9-5-8-18(15-20)25-23(27)22-21(32-24(26-22)17-6-3-2-4-7-17)14-16-10-12-19(13-11-16)33-34(28,29)30/h2-13,15H,14H2,1H3,(H,25,27)(H2,28,29,30)
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 dimerization in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT3-DNA interaction ...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396175
PNG
(CHEMBL2171898)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C18H14O5/c19-15(7-3-12-1-4-13(5-2-12)18(20)21)14-6-8-16-17(11-14)23-10-9-22-16/h1-8,11H,9-10H2,(H,20,21)/b7-3+
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n/an/a 9.10E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of IL6-mediated STAT3 phosphorylation in human HepG2 cells preincubated for 1 hr prior to IL6 challenge measured after 30 mins by immunobl...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396171
PNG
(CHEMBL2172009)
Show SMILES [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(o2)-c2cc(ccc2Cl)-[#6](-[#8])=O)-[#6]-1=O
Show InChI InChI=1S/C20H17ClN2O5S/c1-3-22-17(24)14(18(25)23(4-2)20(22)29)10-12-6-8-16(28-12)13-9-11(19(26)27)5-7-15(13)21/h5-10H,3-4H2,1-2H3,(H,26,27)
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n/an/a 1.14E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant STAT3 assessed as inhibition of STAT3-phosphododecapeptide interaction by SPR analysis

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396173
PNG
(CHEMBL2171900)
Show SMILES COC(=O)Cc1c(C)c2ccc(OCc3ccc(cc3)C(=O)OC)c(C)c2oc1=O
Show InChI InChI=1S/C23H22O7/c1-13-17-9-10-19(29-12-15-5-7-16(8-6-15)22(25)28-4)14(2)21(17)30-23(26)18(13)11-20(24)27-3/h5-10H,11-12H2,1-4H3
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n/an/a 1.37E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant STAT3 assessed as inhibition of STAT3-phosphododecapeptide interaction by SPR analysis

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396174
PNG
(CHEMBL2171899)
Show SMILES [#6]-[#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc(Cl)c1-[#8]-[#6]-c1cccc(c1)-[#6](-[#8])=O
Show InChI InChI=1S/C26H19ClO6/c1-2-32-22-13-16(11-20-23(28)18-8-3-4-9-19(18)24(20)29)12-21(27)25(22)33-14-15-6-5-7-17(10-15)26(30)31/h3-13H,2,14H2,1H3,(H,30,31)
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n/an/a 1.44E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of IL6-mediated STAT3 phosphorylation in human HepG2 cells preincubated for 1 hr prior to IL6 challenge measured after 30 mins by immunobl...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396174
PNG
(CHEMBL2171899)
Show SMILES [#6]-[#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)cc(Cl)c1-[#8]-[#6]-c1cccc(c1)-[#6](-[#8])=O
Show InChI InChI=1S/C26H19ClO6/c1-2-32-22-13-16(11-20-23(28)18-8-3-4-9-19(18)24(20)29)12-21(27)25(22)33-14-15-6-5-7-17(10-15)26(30)31/h3-13H,2,14H2,1H3,(H,30,31)
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n/an/a 2.56E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant STAT3 assessed as inhibition of STAT3-phosphododecapeptide interaction by SPR analysis

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1


(Mus musculus)		BDBM20283
PNG
(2-hydroxy-4-(2-{[(4-methylbenzene)sulfonyl]oxy}ace...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C16H15NO7S/c1-10-2-5-12(6-3-10)25(22,23)24-9-15(19)17-11-4-7-13(16(20)21)14(18)8-11/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT1 dimerization in EGF-stimulated mouse NIH/3T3 cells overexpressing human EGFR assessed as suppression of STAT1-DNA interaction aft...

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396175
PNG
(CHEMBL2171898)
Show SMILES OC(=O)c1ccc(\C=C\C(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C18H14O5/c19-15(7-3-12-1-4-13(5-2-12)18(20)21)14-6-8-16-17(11-14)23-10-9-22-16/h1-8,11H,9-10H2,(H,20,21)/b7-3+
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n/an/a 4.47E+5n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of recombinant STAT3 assessed as inhibition of STAT3-phosphododecapeptide interaction by SPR analysis

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))		BDBM50353441
PNG
(CHEMBL1829786)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C30H34N2O6S/c1-21-8-15-26(16-9-21)39(37,38)31(2)20-29(34)32(25-14-17-27(30(35)36)28(33)18-25)19-22-10-12-24(13-11-22)23-6-4-3-5-7-23/h8-18,23,33H,3-7,19-20H2,1-2H3,(H,35,36)
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n/an/an/a 2.74E+3n/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Binding affinity to STAT3 SH2 in v-Src transformed mouse NIH/3T3 cells overexpressing human EGFR

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396177
PNG
(NIFUROXAZIDE)
Show SMILES Oc1ccc(cc1)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
Show InChI InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of STAT3 expressed in human U3A cells after 1 hr by luciferase reporter gene assay

J Med Chem 55: 6645-68 (2012)


Article DOI: 10.1021/jm300207s
BindingDB Entry DOI: 10.7270/Q2CJ8FKK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%