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Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'page' and Initial = 'bd'   
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 5B


(Homo sapiens (Human))
BDBM50353445
PNG
(CHEMBL1829862 | US10196373, Compound 45B)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)
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2.80E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50382460
PNG
(CHEMBL2023985 | US10196373, Compound 27NA)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(cc1)-c1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccc(C(O)=O)c(O)c2)cc1
Show InChI InChI=1S/C38H34N2O8S/c1-25-7-18-33(19-8-25)49(46,47)39(2)24-36(42)40(32-17-20-34(37(43)44)35(41)22-32)23-26-9-11-27(12-10-26)28-13-15-29(16-14-28)30-5-4-6-31(21-30)38(45)48-3/h4-22,41H,23-24H2,1-3H3,(H,43,44)
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2.80E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50382460
PNG
(CHEMBL2023985 | US10196373, Compound 27NA)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(cc1)-c1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccc(C(O)=O)c(O)c2)cc1
Show InChI InChI=1S/C38H34N2O8S/c1-25-7-18-33(19-8-25)49(46,47)39(2)24-36(42)40(32-17-20-34(37(43)44)35(41)22-32)23-26-9-11-27(12-10-26)28-13-15-29(16-14-28)30-5-4-6-31(21-30)38(45)48-3/h4-22,41H,23-24H2,1-3H3,(H,43,44)
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3.20E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50382463
PNG
(CHEMBL2023989)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H40N2O8S/c1-23-10-17-28(18-11-23)45(42,43)36(33(41)44-34(2,3)4)22-31(38)35(27-16-19-29(32(39)40)30(37)20-27)21-24-12-14-26(15-13-24)25-8-6-5-7-9-25/h10-20,25,37H,5-9,21-22H2,1-4H3,(H,39,40)
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3.40E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50382460
PNG
(CHEMBL2023985 | US10196373, Compound 27NA)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(cc1)-c1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccc(C(O)=O)c(O)c2)cc1
Show InChI InChI=1S/C38H34N2O8S/c1-25-7-18-33(19-8-25)49(46,47)39(2)24-36(42)40(32-17-20-34(37(43)44)35(41)22-32)23-26-9-11-27(12-10-26)28-13-15-29(16-14-28)30-5-4-6-31(21-30)38(45)48-3/h4-22,41H,23-24H2,1-3H3,(H,43,44)
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3.80E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50353444
PNG
(CHEMBL1829870 | US10196373, Compound 45C)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)
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4.10E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(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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4.80E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353444
PNG
(CHEMBL1829870 | US10196373, Compound 45C)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)
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6.20E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353444
PNG
(CHEMBL1829870 | US10196373, Compound 45C)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)
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6.20E+3n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(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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7.30E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50382463
PNG
(CHEMBL2023989)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H40N2O8S/c1-23-10-17-28(18-11-23)45(42,43)36(33(41)44-34(2,3)4)22-31(38)35(27-16-19-29(32(39)40)30(37)20-27)21-24-12-14-26(15-13-24)25-8-6-5-7-9-25/h10-20,25,37H,5-9,21-22H2,1-4H3,(H,39,40)
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7.90E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50353435
PNG
(CHEMBL1829874 | US10196373, Compound 45K)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O6S/c1-31(39(37,38)25-14-11-23(30)12-15-25)19-28(34)32(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)
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7.90E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353445
PNG
(CHEMBL1829862 | US10196373, Compound 45B)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)
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8.00E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353445
PNG
(CHEMBL1829862 | US10196373, Compound 45B)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)
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8.00E+3n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50382464
PNG
(CHEMBL2024086)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H30N2O8S/c1-19-10-13-22(14-11-19)39(36,37)30(27(35)38-28(2,3)4)18-25(32)29(17-20-8-6-5-7-9-20)21-12-15-23(26(33)34)24(31)16-21/h5-16,31H,17-18H2,1-4H3,(H,33,34)
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8.30E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
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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8.40E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
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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8.40E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50353444
PNG
(CHEMBL1829870 | US10196373, Compound 45C)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)
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8.80E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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9.50E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50353445
PNG
(CHEMBL1829862 | US10196373, Compound 45B)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C
Show InChI InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)
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9.70E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50446144
PNG
(CHEMBL3108911)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(F)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C29H26F6N2O5S/c1-36(43(41,42)28-26(34)24(32)23(31)25(33)27(28)35)15-22(38)37(19-11-12-20(29(39)40)21(30)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17H,2-6,14-15H2,1H3,(H,39,40)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Toronto at Mississauga

Curated by ChEMBL


Assay Description
Competitive binding affinity to STAT3 SH2 domain (unknown origin) assessed as inhibition of interaction with FAMpYLPQTV after 15 to 30 mins by fluore...


ACS Med Chem Lett 4: 1102-7 (2013)


Article DOI: 10.1021/ml4003138
BindingDB Entry DOI: 10.7270/Q2D2202P
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50446146
PNG
(CHEMBL3108909)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C29H27F5N2O5S/c1-35(42(40,41)28-26(33)24(31)23(30)25(32)27(28)34)16-22(37)36(21-13-11-20(12-14-21)29(38)39)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,38,39)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Toronto at Mississauga

Curated by ChEMBL


Assay Description
Competitive binding affinity to STAT3 SH2 domain (unknown origin) assessed as inhibition of interaction with FAMpYLPQTV after 15 to 30 mins by fluore...


ACS Med Chem Lett 4: 1102-7 (2013)


Article DOI: 10.1021/ml4003138
BindingDB Entry DOI: 10.7270/Q2D2202P
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50446145
PNG
(CHEMBL3108910)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(=O)NO)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C29H28F5N3O5S/c1-36(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)16-22(38)37(21-13-11-20(12-14-21)29(39)35-40)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18,40H,2-6,15-16H2,1H3,(H,35,39)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Toronto at Mississauga

Curated by ChEMBL


Assay Description
Competitive binding affinity to STAT3 SH2 domain (unknown origin) assessed as inhibition of interaction with FAMpYLPQTV after 15 to 30 mins by fluore...


ACS Med Chem Lett 4: 1102-7 (2013)


Article DOI: 10.1021/ml4003138
BindingDB Entry DOI: 10.7270/Q2D2202P
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(Homo sapiens (Human))
BDBM50382462
PNG
(CHEMBL2023988 | US10196373, Compound 27KI)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H38N4O7S/c1-24-3-14-31(15-4-24)48(46,47)38(2)23-34(42)40(30-13-16-32(36(44)45)33(41)21-30)22-25-5-7-26(8-6-25)27-17-19-39(20-18-27)29-11-9-28(10-12-29)35(37)43/h3-16,21,27,41H,17-20,22-23H2,1-2H3,(H2,37,43)(H,44,45)
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1.01E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353435
PNG
(CHEMBL1829874 | US10196373, Compound 45K)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O6S/c1-31(39(37,38)25-14-11-23(30)12-15-25)19-28(34)32(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)
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1.10E+4n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353435
PNG
(CHEMBL1829874 | US10196373, Compound 45K)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O6S/c1-31(39(37,38)25-14-11-23(30)12-15-25)19-28(34)32(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)
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1.10E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353432
PNG
(CHEMBL1829876 | US10196373, Compound 45O)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C29H27F5N2O6S/c1-35(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)15-22(38)36(19-11-12-20(29(39)40)21(37)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17,37H,2-6,14-15H2,1H3,(H,39,40)
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1.28E+4n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353439
PNG
(CHEMBL1829872 | US10196373, Compound 45G)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)N(C)CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C35H39N3O6S/c1-36(2)31-13-7-12-29-28(31)11-8-14-33(29)45(43,44)37(3)23-34(40)38(27-19-20-30(35(41)42)32(39)21-27)22-24-15-17-26(18-16-24)25-9-5-4-6-10-25/h7-8,11-21,25,39H,4-6,9-10,22-23H2,1-3H3,(H,41,42)
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1.33E+4n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
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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1.50E+4n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of mouse STAT3 SH2 domain using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 30 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
More data for this
Ligand-Target Pair
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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1.55E+4n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
More data for this
Ligand-Target Pair
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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1.55E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50382462
PNG
(CHEMBL2023988 | US10196373, Compound 27KI)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H38N4O7S/c1-24-3-14-31(15-4-24)48(46,47)38(2)23-34(42)40(30-13-16-32(36(44)45)33(41)21-30)22-25-5-7-26(8-6-25)27-17-19-39(20-18-27)29-11-9-28(10-12-29)35(37)43/h3-16,21,27,41H,17-20,22-23H2,1-2H3,(H2,37,43)(H,44,45)
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1.76E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50353435
PNG
(CHEMBL1829874 | US10196373, Compound 45K)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O6S/c1-31(39(37,38)25-14-11-23(30)12-15-25)19-28(34)32(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)
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2.20E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1


(Mus musculus)
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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>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of mouse STAT1 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 30 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 5B


(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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>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50382464
PNG
(CHEMBL2024086)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H30N2O8S/c1-19-10-13-22(14-11-19)39(36,37)30(27(35)38-28(2,3)4)18-25(32)29(17-20-8-6-5-7-9-20)21-12-15-23(26(33)34)24(31)16-21/h5-16,31H,17-18H2,1-4H3,(H,33,34)
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>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50382463
PNG
(CHEMBL2023989)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H40N2O8S/c1-23-10-17-28(18-11-23)45(42,43)36(33(41)44-34(2,3)4)22-31(38)35(27-16-19-29(32(39)40)30(37)20-27)21-24-12-14-26(15-13-24)25-8-6-5-7-9-25/h10-20,25,37H,5-9,21-22H2,1-4H3,(H,39,40)
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>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(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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>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50382464
PNG
(CHEMBL2024086)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C28H30N2O8S/c1-19-10-13-22(14-11-19)39(36,37)30(27(35)38-28(2,3)4)18-25(32)29(17-20-8-6-5-7-9-20)21-12-15-23(26(33)34)24(31)16-21/h5-16,31H,17-18H2,1-4H3,(H,33,34)
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>2.50E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353442
PNG
(CHEMBL1829871 | US10196373, Compound 45E)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C33H34N2O6S/c1-34(42(40,41)31-13-7-11-26-10-5-6-12-28(26)31)22-32(37)35(27-18-19-29(33(38)39)30(36)20-27)21-23-14-16-25(17-15-23)24-8-3-2-4-9-24/h5-7,10-20,24,36H,2-4,8-9,21-22H2,1H3,(H,38,39)
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2.65E+4n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50382462
PNG
(CHEMBL2023988 | US10196373, Compound 27KI)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C36H38N4O7S/c1-24-3-14-31(15-4-24)48(46,47)38(2)23-34(42)40(30-13-16-32(36(44)45)33(41)21-30)22-25-5-7-26(8-6-25)27-17-19-39(20-18-27)29-11-9-28(10-12-29)35(37)43/h3-16,21,27,41H,17-20,22-23H2,1-2H3,(H2,37,43)(H,44,45)
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2.78E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of radioligand from the STAT1 after 15 mins by fluorescent polarization assay


J Med Chem 55: 1047-55 (2012)


Article DOI: 10.1021/jm200720n
BindingDB Entry DOI: 10.7270/Q25D8SV2
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353437
PNG
(CHEMBL1829873 | US10196373, Compound 45I)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C30H31N3O6S/c1-32(40(38,39)26-14-9-21(18-31)10-15-26)20-29(35)33(25-13-16-27(30(36)37)28(34)17-25)19-22-7-11-24(12-8-22)23-5-3-2-4-6-23/h7-17,23,34H,2-6,19-20H2,1H3,(H,36,37)
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3.06E+4n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353440
PNG
(CHEMBL1829864 | US10196373, Compound 45F)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C32H33N3O6S/c1-34(42(40,41)29-11-5-9-25-10-6-18-33-31(25)29)21-30(37)35(26-16-17-27(32(38)39)28(36)19-26)20-22-12-14-24(15-13-22)23-7-3-2-4-8-23/h5-6,9-19,23,36H,2-4,7-8,20-21H2,1H3,(H,38,39)
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4.10E+4n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353438
PNG
(CHEMBL1829865 | US10196373, Compound 45H)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C27H32N4O6S/c1-29-16-25(28-18-29)38(36,37)30(2)17-26(33)31(22-12-13-23(27(34)35)24(32)14-22)15-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h8-14,16,18,20,32H,3-7,15,17H2,1-2H3,(H,34,35)
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 mins by fluorescence polarisation assay


Bioorg Med Chem Lett 21: 5605-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.056
BindingDB Entry DOI: 10.7270/Q2J966R9
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440967
PNG
(CHEMBL2431993 | US10196373, Compound BP2-061)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C37H37F3N2O6S/c1-25-11-18-31(19-12-25)49(47,48)41(23-29-9-5-6-10-33(29)37(38,39)40)24-35(44)42(30-17-20-32(36(45)46)34(43)21-30)22-26-13-15-28(16-14-26)27-7-3-2-4-8-27/h5-6,9-21,27,43H,2-4,7-8,22-24H2,1H3,(H,45,46)
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Competitive binding affinity to Stat3 SH2 domain (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after...


J Med Chem 56: 7190-200 (2013)


Article DOI: 10.1021/jm3017255
BindingDB Entry DOI: 10.7270/Q24F1S6X
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440953
PNG
(CHEMBL2431970 | US10196373, Compound BP3-019)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C36H37N3O8S/c1-25-10-17-32(18-11-25)48(46,47)37(22-27-6-5-9-31(20-27)39(44)45)24-35(41)38(30-16-19-33(36(42)43)34(40)21-30)23-26-12-14-29(15-13-26)28-7-3-2-4-8-28/h5-6,9-21,28,40H,2-4,7-8,22-24H2,1H3,(H,42,43)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Competitive binding affinity to Stat3 SH2 domain (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after...


J Med Chem 56: 7190-200 (2013)


Article DOI: 10.1021/jm3017255
BindingDB Entry DOI: 10.7270/Q24F1S6X
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440939
PNG
(CHEMBL2431942 | US10196373, Compound BP2-057)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C40H40N2O6S/c1-28-11-20-36(21-12-28)49(47,48)41(25-30-15-18-32-9-5-6-10-34(32)23-30)27-39(44)42(35-19-22-37(40(45)46)38(43)24-35)26-29-13-16-33(17-14-29)31-7-3-2-4-8-31/h5-6,9-24,31,43H,2-4,7-8,25-27H2,1H3,(H,45,46)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Competitive binding affinity to Stat3 SH2 domain (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after...


J Med Chem 56: 7190-200 (2013)


Article DOI: 10.1021/jm3017255
BindingDB Entry DOI: 10.7270/Q24F1S6X
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440975
PNG
(CHEMBL2431991 | US10196373, Compound BP2-056)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1cccc(C)c1
Show InChI InChI=1S/C37H40N2O6S/c1-26-11-18-33(19-12-26)46(44,45)38(23-29-8-6-7-27(2)21-29)25-36(41)39(32-17-20-34(37(42)43)35(40)22-32)24-28-13-15-31(16-14-28)30-9-4-3-5-10-30/h6-8,11-22,30,40H,3-5,9-10,23-25H2,1-2H3,(H,42,43)
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Competitive binding affinity to Stat3 SH2 domain (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after...


J Med Chem 56: 7190-200 (2013)


Article DOI: 10.1021/jm3017255
BindingDB Entry DOI: 10.7270/Q24F1S6X
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50440967
PNG
(CHEMBL2431993 | US10196373, Compound BP2-061)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1ccccc1C(F)(F)F
Show InChI InChI=1S/C37H37F3N2O6S/c1-25-11-18-31(19-12-25)49(47,48)41(23-29-9-5-6-10-33(29)37(38,39)40)24-35(44)42(30-17-20-32(36(45)46)34(43)21-30)22-26-13-15-28(16-14-26)27-7-3-2-4-8-27/h5-6,9-21,27,43H,2-4,7-8,22-24H2,1H3,(H,45,46)
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Binding affinity to Stat1 (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after 30 mins by fluorescenc...


J Med Chem 56: 7190-200 (2013)


Article DOI: 10.1021/jm3017255
BindingDB Entry DOI: 10.7270/Q24F1S6X
More data for this
Ligand-Target Pair
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