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Compile Data Set for Download or QSAR

Found 681 hits Enz. Inhib. hit(s) with Target = 'Signal transducer and activator of transcription 3'   
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))
BDBM50252660
PNG
(Benzyl 1-(4-Cyano-2,3,5,6-tetrafluorophenyl)-6,7,8...)
Show SMILES Fc1cc2c(c(F)c1F)n(cc(C(=O)OCc1ccccc1)c2=O)-c1c(F)c(F)c(C#N)c(F)c1F
Show InChI InChI=1S/C24H9F7N2O3/c25-14-6-11-21(20(31)17(14)28)33(22-18(29)15(26)12(7-32)16(27)19(22)30)8-13(23(11)34)24(35)36-9-10-4-2-1-3-5-10/h1-6,8H,9H2
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n/an/an/an/a 130n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 Y705 phosphorylation in human U266 cells by western blot analysis


J Med Chem 51: 4115-21 (2008)


Article DOI: 10.1021/jm701271y
BindingDB Entry DOI: 10.7270/Q2B27V3R
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50252612
PNG
(CHEMBL524195 | Ethyl 1-(4-Cyano-2,3,5,6-tetrafluor...)
Show SMILES CCOC(=O)c1cn(-c2c(F)c(F)c(C#N)c(F)c2F)c2c(F)c(F)c(F)cc2c1=O
Show InChI InChI=1S/C19H7F7N2O3/c1-2-31-19(30)8-5-28(16-6(18(8)29)3-9(20)12(23)15(16)26)17-13(24)10(21)7(4-27)11(22)14(17)25/h3,5H,2H2,1H3
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n/an/an/an/a 170n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 Y705 phosphorylation in human U266 cells by western blot analysis


J Med Chem 51: 4115-21 (2008)


Article DOI: 10.1021/jm701271y
BindingDB Entry DOI: 10.7270/Q2B27V3R
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50252661
PNG
(1-(4-Cyano-2,3,5,6-tetrafluorophenyl)-6,7,8-triflu...)
Show SMILES Fc1ccc(CNC(=O)c2cn(-c3c(F)c(F)c(C#N)c(F)c3F)c3c(F)c(F)c(F)cc3c2=O)cc1
Show InChI InChI=1S/C24H9F8N3O2/c25-10-3-1-9(2-4-10)7-34-24(37)13-8-35(21-11(23(13)36)5-14(26)17(29)20(21)32)22-18(30)15(27)12(6-33)16(28)19(22)31/h1-5,8H,7H2,(H,34,37)
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n/an/an/an/a 200n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 Y705 phosphorylation in human U266 cells by western blot analysis


J Med Chem 51: 4115-21 (2008)


Article DOI: 10.1021/jm701271y
BindingDB Entry DOI: 10.7270/Q2B27V3R
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
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50252610
PNG
(CHEMBL494257 | Ethyl 5,6,7,8-tetrafluoro-4-oxo-1-(...)
Show SMILES CCOC(=O)c1cn(-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2c1=O
Show InChI InChI=1S/C18H6F9NO3/c1-2-31-18(30)4-3-28(16-13(26)10(23)8(21)11(24)14(16)27)15-5(17(4)29)6(19)7(20)9(22)12(15)25/h3H,2H2,1H3
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n/an/an/an/a 4.60E+3n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 Y705 phosphorylation in human U266 cells by western blot analysis


J Med Chem 51: 4115-21 (2008)


Article DOI: 10.1021/jm701271y
BindingDB Entry DOI: 10.7270/Q2B27V3R
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50331576
PNG
(4-(pyrrolidin-1-ylsulfonyl)-N-(thiophen-2-ylmethyl...)
Show SMILES Cc1ccc(cc1)-c1sc(cc1S(=O)(=O)N1CCCC1)C(=O)NCc1cccs1
Show InChI InChI=1S/C21H22N2O3S3/c1-15-6-8-16(9-7-15)20-19(29(25,26)23-10-2-3-11-23)13-18(28-20)21(24)22-14-17-5-4-12-27-17/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,22,24)
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n/an/an/an/a 1.50E+4n/an/an/an/a



University of London

Curated by ChEMBL


Assay Description
Inhibition of STAT3 in human HeLa cells by luciferase reporter assay


Bioorg Med Chem Lett 20: 7029-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.117
BindingDB Entry DOI: 10.7270/Q2VQ32XP
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50252611
PNG
(5,6,7,8-Tetrafluoro-4-oxo-1-(pentafluoro-phenyl)-1...)
Show SMILES OC(=O)c1cn(-c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2c1=O
Show InChI InChI=1S/C16H2F9NO3/c17-4-3-13(10(23)7(20)5(4)18)26(1-2(15(3)27)16(28)29)14-11(24)8(21)6(19)9(22)12(14)25/h1H,(H,28,29)
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n/an/an/an/a 4.60E+4n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of STAT3 Y705 phosphorylation in human U266 cells by western blot analysis


J Med Chem 51: 4115-21 (2008)


Article DOI: 10.1021/jm701271y
BindingDB Entry DOI: 10.7270/Q2B27V3R
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343634
PNG
(4-((E)-4-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...)
Show SMILES CCCC[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H44N5O9P/c1-3-4-10-28(37-30(41)17-21(2)23-11-13-25(14-12-23)48-49(45,46)47)34(44)39-20-24-18-26(24)31(39)33(43)38-27(15-16-29(35)40)32(42)36-19-22-8-6-5-7-9-22/h5-9,11-14,17,24,26-28,31H,3-4,10,15-16,18-20H2,1-2H3,(H2,35,40)(H,36,42)(H,37,41)(H,38,43)(H2,45,46,47)/b21-17+/t24-,26-,27+,28+,31+/m1/s1
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33n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343641
PNG
(CHEMBL1774964 | cis-4-((E)-4-((S)-4-methyl-1-oxo-1...)
Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCNC(N)=O
Show InChI InChI=1S/C25H36N5O8P/c1-14(2)10-20(29-21(31)11-15(3)16-4-6-18(7-5-16)38-39(35,36)37)24(33)30-13-17-12-19(17)22(30)23(32)27-8-9-28-25(26)34/h4-7,11,14,17,19-20,22H,8-10,12-13H2,1-3H3,(H,27,32)(H,29,31)(H3,26,28,34)(H2,35,36,37)/t17-,19-,20+,22+/m1/s1
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39n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343632
PNG
(4-((E)-4-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...)
Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H44N5O9P/c1-20(2)15-28(37-30(41)16-21(3)23-9-11-25(12-10-23)48-49(45,46)47)34(44)39-19-24-17-26(24)31(39)33(43)38-27(13-14-29(35)40)32(42)36-18-22-7-5-4-6-8-22/h4-12,16,20,24,26-28,31H,13-15,17-19H2,1-3H3,(H2,35,40)(H,36,42)(H,37,41)(H,38,43)(H2,45,46,47)/b21-16+/t24-,26-,27+,28+,31+/m1/s1
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43n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343644
PNG
(CHEMBL1774967 | cis-4-((E)-4-oxo-4-((S)-1-oxo-1-((...)
Show SMILES CCCC[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCNC(N)=O
Show InChI InChI=1S/C25H36N5O8P/c1-3-4-5-20(29-21(31)12-15(2)16-6-8-18(9-7-16)38-39(35,36)37)24(33)30-14-17-13-19(17)22(30)23(32)27-10-11-28-25(26)34/h6-9,12,17,19-20,22H,3-5,10-11,13-14H2,1-2H3,(H,27,32)(H,29,31)(H3,26,28,34)(H2,35,36,37)/t17-,19-,20+,22+/m1/s1
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46n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343633
PNG
(4-((E)-3-((S)-1-((1R,2S,5S)-2-((S)-5-amino-1-(benz...)
Show SMILES CCCC[C@H](NC(=O)\C=C\c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C33H42N5O9P/c1-2-3-9-27(36-29(40)17-12-21-10-13-24(14-11-21)47-48(44,45)46)33(43)38-20-23-18-25(23)30(38)32(42)37-26(15-16-28(34)39)31(41)35-19-22-7-5-4-6-8-22/h4-8,10-14,17,23,25-27,30H,2-3,9,15-16,18-20H2,1H3,(H2,34,39)(H,35,41)(H,36,40)(H,37,42)(H2,44,45,46)/b17-12+/t23-,25-,26+,27+,30+/m1/s1
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48n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343635
PNG
(4-((E)-4-((3S,6S)-6-((S)-5-amino-1-(benzylamino)-1...)
Show SMILES C\C(=C/C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1)c1ccc(OP(O)(O)=O)cc1
Show InChI InChI=1S/C35H38N5O9P/c1-21(23-10-13-26(14-11-23)49-50(46,47)48)18-31(42)38-28-15-12-24-8-5-9-25-19-29(40(32(24)25)35(28)45)34(44)39-27(16-17-30(36)41)33(43)37-20-22-6-3-2-4-7-22/h2-11,13-14,18,27-29H,12,15-17,19-20H2,1H3,(H2,36,41)(H,37,43)(H,38,42)(H,39,44)(H2,46,47,48)/b21-18+/t27-,28-,29-/m0/s1
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57n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343642
PNG
(CHEMBL1774965 | cis-4-((E)-4-((S)-1-((1R,2S,5S)-2-...)
Show SMILES CCCC[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O
Show InChI InChI=1S/C27H39N4O8P/c1-4-5-6-22(30-24(33)13-16(2)18-8-10-20(11-9-18)39-40(36,37)38)27(35)31-15-19-14-21(19)25(31)26(34)29-17(3)7-12-23(28)32/h8-11,13,17,19,21-22,25H,4-7,12,14-15H2,1-3H3,(H2,28,32)(H,29,34)(H,30,33)(H2,36,37,38)/b16-13+/t17-,19-,21-,22+,25+/m1/s1
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66n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343631
PNG
(4-((E)-4-((S)-1-((S)-2-((S)-5-amino-1-(benzylamino...)
Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C33H44N5O9P/c1-21(2)18-27(36-30(40)19-22(3)24-11-13-25(14-12-24)47-48(44,45)46)33(43)38-17-7-10-28(38)32(42)37-26(15-16-29(34)39)31(41)35-20-23-8-5-4-6-9-23/h4-6,8-9,11-14,19,21,26-28H,7,10,15-18,20H2,1-3H3,(H2,34,39)(H,35,41)(H,36,40)(H,37,42)(H2,44,45,46)/b22-19+/t26-,27-,28-/m0/s1
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66n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343639
PNG
(CHEMBL1774962 | cis-4-((E)-4-((S)-1-((1R,2S,5S)-2-...)
Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O
Show InChI InChI=1S/C27H39N4O8P/c1-15(2)11-22(30-24(33)12-16(3)18-6-8-20(9-7-18)39-40(36,37)38)27(35)31-14-19-13-21(19)25(31)26(34)29-17(4)5-10-23(28)32/h6-9,12,15,17,19,21-22,25H,5,10-11,13-14H2,1-4H3,(H2,28,32)(H,29,34)(H,30,33)(H2,36,37,38)/b16-12+/t17-,19-,21-,22+,25+/m1/s1
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83n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343638
PNG
(4-((E)-4-((S)-4-methyl-1-oxo-1-((S)-2-(2-ureidoeth...)
Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCNC(N)=O
Show InChI InChI=1S/C24H36N5O8P/c1-15(2)13-19(23(32)29-12-4-5-20(29)22(31)26-10-11-27-24(25)33)28-21(30)14-16(3)17-6-8-18(9-7-17)37-38(34,35)36/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3,(H,26,31)(H,28,30)(H3,25,27,33)(H2,34,35,36)/t19-,20-/m0/s1
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94n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343645
PNG
(4-((E)-4-((3S,6S)-6-((R)-5-amino-5-oxopentan-2-ylc...)
Show SMILES C[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2cccc3CC[C@H](NC(=O)\C=C(/C)c4ccc(OP(O)(O)=O)cc4)C(=O)N1c23
Show InChI InChI=1S/C28H33N4O8P/c1-16(18-7-10-21(11-8-18)40-41(37,38)39)14-25(34)31-22-12-9-19-4-3-5-20-15-23(32(26(19)20)28(22)36)27(35)30-17(2)6-13-24(29)33/h3-5,7-8,10-11,14,17,22-23H,6,9,12-13,15H2,1-2H3,(H2,29,33)(H,30,35)(H,31,34)(H2,37,38,39)/b16-14+/t17-,22+,23+/m1/s1
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105n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343643
PNG
(CHEMBL1774966 | cis-2-((1R,2S,5S)-3-((S)-2-((E)-3-...)
Show SMILES CCCC[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCOC(N)=O
Show InChI InChI=1S/C25H35N4O9P/c1-3-4-5-20(28-21(30)12-15(2)16-6-8-18(9-7-16)38-39(34,35)36)24(32)29-14-17-13-19(17)22(29)23(31)27-10-11-37-25(26)33/h6-9,12,17,19-20,22H,3-5,10-11,13-14H2,1-2H3,(H2,26,33)(H,27,31)(H,28,30)(H2,34,35,36)/t17-,19-,20+,22+/m1/s1
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114n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343636
PNG
(4-((E)-4-((S)-1-((S)-2-((R)-5-amino-5-oxopentan-2-...)
Show SMILES CC(C)C[C@H](NC(=O)\C=C(/C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCC(N)=O
Show InChI InChI=1S/C26H39N4O8P/c1-16(2)14-21(26(34)30-13-5-6-22(30)25(33)28-18(4)7-12-23(27)31)29-24(32)15-17(3)19-8-10-20(11-9-19)38-39(35,36)37/h8-11,15-16,18,21-22H,5-7,12-14H2,1-4H3,(H2,27,31)(H,28,33)(H,29,32)(H2,35,36,37)/b17-15+/t18-,21+,22+/m1/s1
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144n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343646
PNG
(2-((3S,6S)-4-oxo-3-((E)-3-(4-(phosphonooxy)phenyl)...)
Show SMILES CC(=CC(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCCOC(N)=O)c1ccc(OP(O)(O)=O)cc1
Show InChI InChI=1S/C26H29N4O9P/c1-15(16-5-8-19(9-6-16)39-40(35,36)37)13-22(31)29-20-10-7-17-3-2-4-18-14-21(30(23(17)18)25(20)33)24(32)28-11-12-38-26(27)34/h2-6,8-9,13,20-21H,7,10-12,14H2,1H3,(H2,27,34)(H,28,32)(H,29,31)(H2,35,36,37)/t20-,21-/m0/s1
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188n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM28130
PNG
(4-[(2S)-2-{[(3S)-1-({[(1S)-1-(benzylcarbamoyl)-3-c...)
Show SMILES NC(=O)CC[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)OCc2ccccc2)C1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C37H45N6O11P/c38-32(44)19-18-29(34(46)39-22-26-9-3-1-4-10-26)40-33(45)23-43-20-8-7-13-30(36(43)48)41-35(47)31(42-37(49)53-24-27-11-5-2-6-12-27)21-25-14-16-28(17-15-25)54-55(50,51)52/h1-6,9-12,14-17,29-31H,7-8,13,18-24H2,(H2,38,44)(H,39,46)(H,40,45)(H,41,47)(H,42,49)(H2,50,51,52)/t29-,30-,31-/m0/s1
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190 -38.0n/an/an/an/an/a7.522



University of Michigan at Ann Arbor



Assay Description
The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner wi...


Bioorg Med Chem Lett 19: 1733-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.091
BindingDB Entry DOI: 10.7270/Q2GB22DC
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343640
PNG
(CHEMBL1774963 | cis-2-((1R,2S,5S)-3-((S)-4-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCOC(N)=O
Show InChI InChI=1S/C25H35N4O9P/c1-14(2)10-20(28-21(30)11-15(3)16-4-6-18(7-5-16)38-39(34,35)36)24(32)29-13-17-12-19(17)22(29)23(31)27-8-9-37-25(26)33/h4-7,11,14,17,19-20,22H,8-10,12-13H2,1-3H3,(H2,26,33)(H,27,31)(H,28,30)(H2,34,35,36)/t17-,19-,20+,22+/m1/s1
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193n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343637
PNG
(2-((S)-1-((S)-4-methyl-2-((E)-3-(4-(phosphonooxy)p...)
Show SMILES CC(C)C[C@H](NC(=O)C=C(C)c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCOC(N)=O
Show InChI InChI=1S/C24H35N4O9P/c1-15(2)13-19(23(31)28-11-4-5-20(28)22(30)26-10-12-36-24(25)32)27-21(29)14-16(3)17-6-8-18(9-7-17)37-38(33,34)35/h6-9,14-15,19-20H,4-5,10-13H2,1-3H3,(H2,25,32)(H,26,30)(H,27,29)(H2,33,34,35)/t19-,20-/m0/s1
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203n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM28128
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-1-(benzylcarbamo...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C40H51N6O11P/c1-26(2)22-33(39(51)46-21-9-14-34(46)38(50)43-31(19-20-35(41)47)36(48)42-24-28-10-5-3-6-11-28)44-37(49)32(45-40(52)56-25-29-12-7-4-8-13-29)23-27-15-17-30(18-16-27)57-58(53,54)55/h3-8,10-13,15-18,26,31-34H,9,14,19-25H2,1-2H3,(H2,41,47)(H,42,48)(H,43,50)(H,44,49)(H,45,52)(H2,53,54,55)/t31-,32-,33-,34-/m0/s1
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350 -36.5n/an/an/an/an/a7.522



University of Michigan at Ann Arbor



Assay Description
The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner wi...


Bioorg Med Chem Lett 19: 1733-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.091
BindingDB Entry DOI: 10.7270/Q2GB22DC
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50343647
PNG
(4-((E)-4-oxo-4-((3S,6S)-4-oxo-6-(2-ureidoethylcarb...)
Show SMILES CC(=CC(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCCNC(N)=O)c1ccc(OP(O)(O)=O)cc1
Show InChI InChI=1S/C26H30N5O8P/c1-15(16-5-8-19(9-6-16)39-40(36,37)38)13-22(32)30-20-10-7-17-3-2-4-18-14-21(31(23(17)18)25(20)34)24(33)28-11-12-29-26(27)35/h2-6,8-9,13,20-21H,7,10-12,14H2,1H3,(H,28,33)(H,30,32)(H3,27,29,35)(H2,36,37,38)/t20-,21-/m0/s1
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386n/an/an/an/an/an/an/an/a



University of Texas M. D. Anderson Cancer Center

Curated by ChEMBL


Assay Description
Binding affinity to SH2 domain of Stat3 by fluorescence polarization assay


J Med Chem 54: 3549-63 (2011)


Article DOI: 10.1021/jm2000882
BindingDB Entry DOI: 10.7270/Q2G44QMM
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50433933
PNG
(CHEMBL2380761)
Show SMILES NS(=O)(=O)c1cccc2C(=O)C(Nc3cccnc3)=CC(=O)c12
Show InChI InChI=1S/C15H11N3O4S/c16-23(21,22)13-5-1-4-10-14(13)12(19)7-11(15(10)20)18-9-3-2-6-17-8-9/h1-8,18H,(H2,16,21,22)
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2.50E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of 5-carboxyfluorescein labeled phosphopeptide binding to STAT3 SH2 domain (unknown origin) incubated for 60 mins prior to 5-carboxyfluore...


J Med Chem 56: 4402-12 (2013)


Article DOI: 10.1021/jm400080c
BindingDB Entry DOI: 10.7270/Q2D50PBT
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50382460
PNG
(CHEMBL2023985)
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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM28129
PNG
(4-[(2S)-2-{[(3S)-1-({[(1S)-1-(benzylcarbamoyl)-3-c...)
Show SMILES NC(=O)CC[C@H](NC(=O)CN1CCC[C@H](NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)OCc2ccccc2)C1=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C36H43N6O11P/c37-31(43)18-17-28(33(45)38-21-25-8-3-1-4-9-25)39-32(44)22-42-19-7-12-29(35(42)47)40-34(46)30(41-36(48)52-23-26-10-5-2-6-11-26)20-24-13-15-27(16-14-24)53-54(49,50)51/h1-6,8-11,13-16,28-30H,7,12,17-23H2,(H2,37,43)(H,38,45)(H,39,44)(H,40,46)(H,41,48)(H2,49,50,51)/t28-,29-,30-/m0/s1
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3.13E+3 -31.1n/an/an/an/an/a7.522



University of Michigan at Ann Arbor



Assay Description
The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner wi...


Bioorg Med Chem Lett 19: 1733-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.091
BindingDB Entry DOI: 10.7270/Q2GB22DC
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337199
PNG
(4-((S)-3-((S)-1-(6-(Benzylcarbamoyl)-4'-carbamoylb...)
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)Nc1ccc(C(=O)NCc2ccccc2)c(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C44H43N6O9P/c1-27(2)22-38(50-44(55)39(49-41(52)33-12-8-29(25-45)9-13-33)23-28-10-19-35(20-11-28)59-60(56,57)58)43(54)48-34-18-21-36(42(53)47-26-30-6-4-3-5-7-30)37(24-34)31-14-16-32(17-15-31)40(46)51/h3-21,24,27,38-39H,22-23,26H2,1-2H3,(H2,46,51)(H,47,53)(H,48,54)(H,49,52)(H,50,55)(H2,56,57,58)/t38-,39-/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GpYLPQTV-NH2 from mouse recombinant His-tagged STAT3-SH2 domain expressed in Escherichia coli BL21 (DE3) by fluo...


Bioorg Med Chem 19: 1823-38 (2011)


Article DOI: 10.1016/j.bmc.2010.12.010
BindingDB Entry DOI: 10.7270/Q2HQ4058
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353444
PNG
(CHEMBL1829870)
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)
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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20246
PNG
(4-[(2S)-2-{[(1S)-1-{[(6S,9S,12S)-12-{[(1S)-1-carba...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@H]1CCCCn2cc(C[C@H](NC(=O)[C@@H](NC1=O)C(C)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)nn2
Show InChI InChI=1S/C41H57N10O12P/c1-23(2)18-32(46-39(57)33(43-25(4)53)20-27-13-15-29(16-14-27)63-64(60,61)62)38(56)44-30-12-8-9-17-51-22-28(49-50-51)21-34(47-41(59)35(24(3)52)48-37(30)55)40(58)45-31(36(42)54)19-26-10-6-5-7-11-26/h5-7,10-11,13-16,22-24,30-35,52H,8-9,12,17-21H2,1-4H3,(H2,42,54)(H,43,53)(H,44,56)(H,45,58)(H,46,57)(H,47,59)(H,48,55)(H2,60,61,62)/t24?,30-,31-,32-,33-,34-,35-/m0/s1
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7.30E+3 -29.0n/an/an/an/an/a7.522



University of Michigan



Assay Description
Fluorescence polarization (FP) binding assay is utilizing the intrinsic property of the fluorescent probe, which will have low polarization value whe...


Bioorg Med Chem Lett 17: 3939-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.096
BindingDB Entry DOI: 10.7270/Q2PR7T8K
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 3


(Homo sapiens (Human))
BDBM50353445
PNG
(CHEMBL1829862)
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)
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 3


(Homo sapiens (Human))
BDBM50382459
PNG
(CHEMBL2023986)
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)
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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337198
PNG
((S)-3-(((S)-1-((5-(Benzylcarbamoyl)-4'-carbamoyl-[...)
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)Nc1cc(cc(c1)-c1ccc(cc1)C(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H43N6O9P/c1-27(2)20-38(50-44(55)39(49-42(53)33-12-8-29(25-45)9-13-33)21-28-10-18-37(19-11-28)59-60(56,57)58)43(54)48-36-23-34(31-14-16-32(17-15-31)40(46)51)22-35(24-36)41(52)47-26-30-6-4-3-5-7-30/h3-19,22-24,27,38-39H,20-21,26H2,1-2H3,(H2,46,51)(H,47,52)(H,48,54)(H,49,53)(H,50,55)(H2,56,57,58)/t38-,39-/m0/s1
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9.00E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GpYLPQTV-NH2 from mouse recombinant His-tagged STAT3-SH2 domain expressed in Escherichia coli BL21 (DE3) by fluo...


Bioorg Med Chem 19: 1823-38 (2011)


Article DOI: 10.1016/j.bmc.2010.12.010
BindingDB Entry DOI: 10.7270/Q2HQ4058
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


TBA

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...


Citation and Details

Article DOI: 10.1021/ml4003138
BindingDB Entry DOI: 10.7270/Q2D2202P
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337205
PNG
(CHEMBL1684879 | Methyl 2'-(benzylcarbamoyl)-5'-((S...)
Show SMILES COC(=O)c1cccc(c1)-c1cc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)c2ccc(cc2)C#N)ccc1C(=O)NCc1ccccc1
Show InChI InChI=1S/C45H44N5O10P/c1-28(2)22-39(50-44(54)40(49-41(51)32-16-12-30(26-46)13-17-32)23-29-14-19-36(20-15-29)60-61(56,57)58)43(53)48-35-18-21-37(42(52)47-27-31-8-5-4-6-9-31)38(25-35)33-10-7-11-34(24-33)45(55)59-3/h4-21,24-25,28,39-40H,22-23,27H2,1-3H3,(H,47,52)(H,48,53)(H,49,51)(H,50,54)(H2,56,57,58)/t39-,40-/m0/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GpYLPQTV-NH2 from mouse recombinant His-tagged STAT3-SH2 domain expressed in Escherichia coli BL21 (DE3) by fluo...


Bioorg Med Chem 19: 1823-38 (2011)


Article DOI: 10.1016/j.bmc.2010.12.010
BindingDB Entry DOI: 10.7270/Q2HQ4058
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


TBA

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...


Citation and Details

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


TBA

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...


Citation and Details

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))
BDBM50353435
PNG
(CHEMBL1829874)
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))
BDBM50353435
PNG
(CHEMBL1829874)
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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337209
PNG
(4-((S)-3-(((S)-1-((6-(Benzylcarbamoyl)-4'-cyano-[1...)
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)Nc1ccc(C(=O)NCc2ccccc2)c(c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C44H41N6O8P/c1-28(2)22-39(50-44(54)40(49-41(51)34-16-10-31(26-46)11-17-34)23-29-12-19-36(20-13-29)58-59(55,56)57)43(53)48-35-18-21-37(42(52)47-27-32-6-4-3-5-7-32)38(24-35)33-14-8-30(25-45)9-15-33/h3-21,24,28,39-40H,22-23,27H2,1-2H3,(H,47,52)(H,48,53)(H,49,51)(H,50,54)(H2,55,56,57)/t39-,40-/m0/s1
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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 5-carboxyfluorescein-GpYLPQTV-NH2 from mouse recombinant His-tagged STAT3-SH2 domain expressed in Escherichia coli BL21 (DE3) by fluo...


Bioorg Med Chem 19: 1823-38 (2011)


Article DOI: 10.1016/j.bmc.2010.12.010
BindingDB Entry DOI: 10.7270/Q2HQ4058
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353432
PNG
(CHEMBL1829876)
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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337206
PNG
(4-((S)-3-(((S)-1-((6-(Benzylcarbamoyl)-3'-cyano-[1...)
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)Nc1ccc(C(=O)NCc2ccccc2)c(c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C44H41N6O8P/c1-28(2)21-39(50-44(54)40(49-41(51)33-15-11-30(25-45)12-16-33)23-29-13-18-36(19-14-29)58-59(55,56)57)43(53)48-35-17-20-37(42(52)47-27-31-7-4-3-5-8-31)38(24-35)34-10-6-9-32(22-34)26-46/h3-20,22,24,28,39-40H,21,23,27H2,1-2H3,(H,47,52)(H,48,53)(H,49,51)(H,50,54)(H2,55,56,57)/t39-,40-/m0/s1
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1.30E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Displacement of 5-carboxyfluorescein-GpYLPQTV-NH2 from mouse recombinant His-tagged STAT3-SH2 domain expressed in Escherichia coli BL21 (DE3) by fluo...


Bioorg Med Chem 19: 1823-38 (2011)


Article DOI: 10.1016/j.bmc.2010.12.010
BindingDB Entry DOI: 10.7270/Q2HQ4058
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50438396
PNG
(CHEMBL2414132)
Show SMILES OCCSC1=CC(=O)c2c(O)cccc2C1=O
Show InChI InChI=1S/C12H10O4S/c13-4-5-17-10-6-9(15)11-7(12(10)16)2-1-3-8(11)14/h1-3,6,13-14H,4-5H2
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
1.33E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to STAT3 SH2 domain (unknown origin) using 5-FAM-SpYLPQTV as probe assessed as inhibition of protein dimerization after 60 mins by f...


Bioorg Med Chem 21: 4662-9 (2013)


Article DOI: 10.1016/j.bmc.2013.05.017
BindingDB Entry DOI: 10.7270/Q28W3FPJ
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50353439
PNG
(CHEMBL1829872)
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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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