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Compile Data Set for Download or QSAR

Found 121 hits of ki for UniProtKB: P40763   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50557878
PNG
(CHEMBL4776801)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(=O)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
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5.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant STAT3 (unknown origin) assessed as inhibition constant incubated for 1 hr by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00155
BindingDB Entry DOI: 10.7270/Q20R9T2F
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50514305
PNG
(CHEMBL4560429)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CCCC2)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C33H39F2N6O8P/c34-33(35,50(47,48)49)21-10-12-23-20(16-21)17-26(38-23)30(44)40-25-9-5-4-8-22-11-14-27(41(22)32(25)46)31(45)39-24(13-15-28(36)42)29(43)37-18-19-6-2-1-3-7-19/h1-3,6-7,10,12,16-17,22,24-25,27,38H,4-5,8-9,11,13-15,18H2,(H2,36,42)(H,37,43)(H,39,45)(H,40,44)(H2,47,48,49)/t22-,24-,25-,27-/m0/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...


J Med Chem 62: 11280-11300 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50514302
PNG
(CHEMBL4452527)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C59H62F2N9O12P/c60-59(61,83(80,81)82)39-21-23-43-38(31-39)32-45(63-43)54(75)65-46-34-68(51(73)20-11-3-1-2-6-13-35-18-12-19-41-42(35)33-69(57(41)78)47-26-28-50(72)66-55(47)76)30-29-40-22-25-48(70(40)58(46)79)56(77)64-44(24-27-49(62)71)53(74)67-52(36-14-7-4-8-15-36)37-16-9-5-10-17-37/h4-5,7-10,12,14-19,21,23,31-32,40,44,46-48,52,63H,1-3,11,20,22,24-30,33-34H2,(H2,62,71)(H,64,77)(H,65,75)(H,67,74)(H,66,72,76)(H2,80,81,82)/t40-,44+,46+,47?,48+/m1/s1
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to recombinant STAT3 (unknown origin) assessed as inhibition constant incubated for 1 hr by fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00155
BindingDB Entry DOI: 10.7270/Q20R9T2F
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50514306
PNG
(CHEMBL4471887)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(C)CC2)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C39H44F2N7O8P/c1-47-19-18-27-13-16-32(37(52)44-29(15-17-33(42)49)35(50)46-34(23-8-4-2-5-9-23)24-10-6-3-7-11-24)48(27)38(53)31(22-47)45-36(51)30-21-25-20-26(12-14-28(25)43-30)39(40,41)57(54,55)56/h2-12,14,20-21,27,29,31-32,34,43H,13,15-19,22H2,1H3,(H2,42,49)(H,44,52)(H,45,51)(H,46,50)(H2,54,55,56)/t27-,29+,31+,32+/m1/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...


J Med Chem 62: 11280-11300 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50514303
PNG
(CHEMBL4443339)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(C)CC2)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C33H40F2N7O8P/c1-41-14-13-22-8-11-27(31(46)39-24(10-12-28(36)43)29(44)37-17-19-5-3-2-4-6-19)42(22)32(47)26(18-41)40-30(45)25-16-20-15-21(7-9-23(20)38-25)33(34,35)51(48,49)50/h2-7,9,15-16,22,24,26-27,38H,8,10-14,17-18H2,1H3,(H2,36,43)(H,37,44)(H,39,46)(H,40,45)(H2,48,49,50)/t22-,24+,26+,27+/m1/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...


J Med Chem 62: 11280-11300 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50514297
PNG
(CHEMBL4575382)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(C)=O)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H44F2N7O9P/c1-23(50)48-19-18-28-13-16-33(38(54)45-30(15-17-34(43)51)36(52)47-35(24-8-4-2-5-9-24)25-10-6-3-7-11-25)49(28)39(55)32(22-48)46-37(53)31-21-26-20-27(12-14-29(26)44-31)40(41,42)59(56,57)58/h2-12,14,20-21,28,30,32-33,35,44H,13,15-19,22H2,1H3,(H2,43,51)(H,45,54)(H,46,53)(H,47,52)(H2,56,57,58)/t28-,30+,32+,33+/m1/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...


J Med Chem 62: 11280-11300 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50514299
PNG
(CHEMBL4515406)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(C)=O)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C34H40F2N7O9P/c1-19(44)42-14-13-23-8-11-28(32(48)40-25(10-12-29(37)45)30(46)38-17-20-5-3-2-4-6-20)43(23)33(49)27(18-42)41-31(47)26-16-21-15-22(7-9-24(21)39-26)34(35,36)53(50,51)52/h2-7,9,15-16,23,25,27-28,39H,8,10-14,17-18H2,1H3,(H2,37,45)(H,38,46)(H,40,48)(H,41,47)(H2,50,51,52)/t23-,25+,27+,28+/m1/s1
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...


J Med Chem 62: 11280-11300 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50514298
PNG
(CHEMBL4571181)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CCCC2)NC(=O)c1cc2cc(OP(O)(O)=O)ccc2[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C32H39N6O9P/c33-28(39)15-13-24(29(40)34-18-19-6-2-1-3-7-19)36-31(42)27-14-10-21-8-4-5-9-25(32(43)38(21)27)37-30(41)26-17-20-16-22(47-48(44,45)46)11-12-23(20)35-26/h1-3,6-7,11-12,16-17,21,24-25,27,35H,4-5,8-10,13-15,18H2,(H2,33,39)(H,34,40)(H,36,42)(H,37,41)(H2,44,45,46)/t21-,24-,25-,27-/m0/s1
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...


J Med Chem 62: 11280-11300 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50514296
PNG
(CHEMBL4443240)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(C)=O)NC(=O)c1cc2cc(OP(O)(O)=O)ccc2[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C39H44N7O10P/c1-23(47)45-19-18-27-12-16-33(46(27)39(52)32(22-45)43-37(50)31-21-26-20-28(56-57(53,54)55)13-14-29(26)41-31)38(51)42-30(15-17-34(40)48)36(49)44-35(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-11,13-14,20-21,27,30,32-33,35,41H,12,15-19,22H2,1H3,(H2,40,48)(H,42,51)(H,43,50)(H,44,49)(H2,53,54,55)/t27-,30+,32+,33+/m1/s1
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33n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...


J Med Chem 62: 11280-11300 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF
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 |r|
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 |r,w:8.7|
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 |r|
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 |r,w:8.7|
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 |r|
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 |r|
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 |r|
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 |r|
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 |r|
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 |r,w:8.7|
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 |r|
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 |r,w:8.7|
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 |r|
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))
BDBM50514304
PNG
(CHEMBL4538737)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(C)=O)NC(=O)\C=C(/C)c1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C41H47F2N6O9P/c1-25(27-13-15-30(16-14-27)41(42,43)59(56,57)58)23-36(52)45-33-24-48(26(2)50)22-21-31-17-19-34(49(31)40(33)55)39(54)46-32(18-20-35(44)51)38(53)47-37(28-9-5-3-6-10-28)29-11-7-4-8-12-29/h3-16,23,31-34,37H,17-22,24H2,1-2H3,(H2,44,51)(H,45,52)(H,46,54)(H,47,53)(H2,56,57,58)/b25-23+/t31-,32+,33+,34+/m1/s1
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164n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...


J Med Chem 62: 11280-11300 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF
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 |r,w:2.2|
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
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 |r,w:8.7|
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 |r,w:8.7|
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
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 |r,w:2.2|
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))
BDBM50236733
PNG
(CHEMBL4096680)
Show SMILES NS(=O)(=O)c1cccc2C(=O)C(Nc3ccccc3N3CCNCC3)=CC(=O)c12 |c:26|
Show InChI InChI=1S/C20H20N4O4S/c21-29(27,28)18-7-3-4-13-19(18)17(25)12-15(20(13)26)23-14-5-1-2-6-16(14)24-10-8-22-9-11-24/h1-7,12,22-23H,8-11H2,(H2,21,27,28)
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440n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Displacement of 5-FAM-SpYLPQTV from STAT3 (unknown origin) at pY705 site after 30 mins by fluorescence polarization assay


J Med Chem 60: 2718-2731 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01489
BindingDB Entry DOI: 10.7270/Q2N3007P
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50514300
PNG
(CHEMBL4567312)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(C)=O)NC(=O)c1cc2cc(CP(O)(O)=O)ccc2[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C40H46N7O9P/c1-24(48)46-19-18-29-13-16-34(47(29)40(53)33(22-46)44-38(51)32-21-28-20-25(23-57(54,55)56)12-14-30(28)42-32)39(52)43-31(15-17-35(41)49)37(50)45-36(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-12,14,20-21,29,31,33-34,36,42H,13,15-19,22-23H2,1H3,(H2,41,49)(H,43,52)(H,44,51)(H,45,50)(H2,54,55,56)/t29-,31+,33+,34+/m1/s1
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584n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His/SUMO-tagged STAT3 (127 to 688 residues) expressed in Escherichia coli Rosetta (DE3) incubated for 1 hr by f...


J Med Chem 62: 11280-11300 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50470518
PNG
(CHEMBL4294523)
Show SMILES CNc1ccc(Br)cc(C(=O)\C=C\c2c(Cl)cccc2Cl)c1=O
Show InChI InChI=1S/C17H12BrCl2NO2/c1-21-15-7-5-10(18)9-12(17(15)23)16(22)8-6-11-13(19)3-2-4-14(11)20/h2-9H,1H3,(H,21,23)/b8-6+
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740n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...


Eur J Med Chem 157: 887-897 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.037
BindingDB Entry DOI: 10.7270/Q27M0BNN
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50514301
PNG
(CHEMBL4461538)
Show SMILES [H][C@]12CC[C@H](N1C(=O)[C@H](CCCC2)NC(=O)c1cc2cc(CP(O)(O)=O)ccc2[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C33H41N6O8P/c34-29(40)15-13-25(30(41)35-18-20-6-2-1-3-7-20)37-32(43)28-14-11-23-8-4-5-9-26(33(44)39(23)28)38-31(42)27-17-22-16-21(19-48(45,46)47)10-12-24(22)36-27/h1-3,6-7,10,12,16-17,23,25-26,28,36H,4-5,8-9,11,13-15,18-19H2,(H2,34,40)(H,35,41)(H,37,43)(H,38,42)(H2,45,46,47)/t23-,25-,26-,28-/m0/s1
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761n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to STAT3 (unknown origin)


J Med Chem 62: 11280-11300 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01530
BindingDB Entry DOI: 10.7270/Q2FF3WQF
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50470513
PNG
(CHEMBL4290712)
Show SMILES CCNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Br)cc2)c1=O
Show InChI InChI=1S/C18H15Br2NO2/c1-2-21-16-9-8-14(20)11-15(18(16)23)17(22)10-5-12-3-6-13(19)7-4-12/h3-11H,2H2,1H3,(H,21,23)/b10-5+
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1.01E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...


Eur J Med Chem 157: 887-897 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.037
BindingDB Entry DOI: 10.7270/Q27M0BNN
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50470517
PNG
(CHEMBL4294114)
Show SMILES CNc1ccc(Br)cc(C(=O)\C=C\c2cccc(Cl)c2)c1=O
Show InChI InChI=1S/C17H13BrClNO2/c1-20-15-7-6-12(18)10-14(17(15)22)16(21)8-5-11-3-2-4-13(19)9-11/h2-10H,1H3,(H,20,22)/b8-5+
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1.18E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...


Eur J Med Chem 157: 887-897 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.037
BindingDB Entry DOI: 10.7270/Q27M0BNN
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50470512
PNG
(CHEMBL1416382)
Show SMILES CN=c1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2Cl)c1O
Show InChI InChI=1S/C17H12BrCl2NO2/c1-21-15-6-4-11(18)8-13(17(15)23)16(22)7-3-10-2-5-12(19)9-14(10)20/h2-9H,1H3,(H,21,23)/b7-3+
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1.40E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...


Eur J Med Chem 157: 887-897 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.037
BindingDB Entry DOI: 10.7270/Q27M0BNN
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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1.80E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50236733
PNG
(CHEMBL4096680)
Show SMILES NS(=O)(=O)c1cccc2C(=O)C(Nc3ccccc3N3CCNCC3)=CC(=O)c12 |c:26|
Show InChI InChI=1S/C20H20N4O4S/c21-29(27,28)18-7-3-4-13-19(18)17(25)12-15(20(13)26)23-14-5-1-2-6-16(14)24-10-8-22-9-11-24/h1-7,12,22-23H,8-11H2,(H2,21,27,28)
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2.42E+3n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity against human progesterone receptor (hPR) in T47D human breast cancer cell line


J Med Chem 60: 2718-2731 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01489
BindingDB Entry DOI: 10.7270/Q2N3007P
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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2.50E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
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 |c:19|
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))
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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2.50E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50470515
PNG
(CHEMBL4291509)
Show SMILES CC(=O)Nc1ccc(cc1)N1C(=O)\C(=C\c2ccc(Cl)cc2)C=C1c1ccccc1 |c:24|
Show InChI InChI=1S/C25H19ClN2O2/c1-17(29)27-22-11-13-23(14-12-22)28-24(19-5-3-2-4-6-19)16-20(25(28)30)15-18-7-9-21(26)10-8-18/h2-16H,1H3,(H,27,29)/b20-15+
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2.50E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...


Eur J Med Chem 157: 887-897 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.037
BindingDB Entry DOI: 10.7270/Q27M0BNN
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440976
PNG
(CHEMBL2431990 | US10196373, Compound BP2-047)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1ccccc1C
Show InChI InChI=1S/C37H40N2O6S/c1-26-12-19-33(20-13-26)46(44,45)38(24-31-11-7-6-8-27(31)2)25-36(41)39(32-18-21-34(37(42)43)35(40)22-32)23-28-14-16-30(17-15-28)29-9-4-3-5-10-29/h6-8,11-22,29,40H,3-5,9-10,23-25H2,1-2H3,(H,42,43)
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2.60E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
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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2.60E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
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 3


(Homo sapiens (Human))
BDBM50440968
PNG
(CHEMBL2431964 | US10196373, Compound SH3-077)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C36H37ClN2O6S/c1-25-10-17-32(18-11-25)46(44,45)38(22-27-6-5-9-30(37)20-27)24-35(41)39(31-16-19-33(36(42)43)34(40)21-31)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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3.00E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440958
PNG
(CHEMBL2431965 | US10196373, Compound SH3-076)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C36H37ClN2O6S/c1-25-7-18-32(19-8-25)46(44,45)38(22-26-11-15-30(37)16-12-26)24-35(41)39(31-17-20-33(36(42)43)34(40)21-31)23-27-9-13-29(14-10-27)28-5-3-2-4-6-28/h7-21,28,40H,2-6,22-24H2,1H3,(H,42,43)
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3.10E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440957
PNG
(CHEMBL2431966 | US10196373, Compound XW1-061)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1ccccc1OC(F)(F)F
Show InChI InChI=1S/C37H37F3N2O7S/c1-25-11-18-31(19-12-25)50(47,48)41(23-29-9-5-6-10-34(29)49-37(38,39)40)24-35(44)42(30-17-20-32(36(45)46)33(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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3.60E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440936
PNG
(CHEMBL2431945 | US10196373, Compound XW1-053)
Show SMILES CCOC(=O)c1ccc(CN(CC(=O)N(Cc2ccc(cc2)C2CCCCC2)c2ccc(C(O)=O)c(O)c2)S(=O)(=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C39H42N2O8S/c1-3-49-39(46)32-17-13-28(14-18-32)24-40(50(47,48)34-20-9-27(2)10-21-34)26-37(43)41(33-19-22-35(38(44)45)36(42)23-33)25-29-11-15-31(16-12-29)30-7-5-4-6-8-30/h9-23,30,42H,3-8,24-26H2,1-2H3,(H,44,45)
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3.80E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440970
PNG
(CHEMBL2431962 | US10196373, Compound BP2-065)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1ccc(F)cc1
Show InChI InChI=1S/C36H37FN2O6S/c1-25-7-18-32(19-8-25)46(44,45)38(22-26-11-15-30(37)16-12-26)24-35(41)39(31-17-20-33(36(42)43)34(40)21-31)23-27-9-13-29(14-10-27)28-5-3-2-4-6-28/h7-21,28,40H,2-6,22-24H2,1H3,(H,42,43)
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US Patent
3.80E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50470514
PNG
(CHEMBL4283640)
Show SMILES CNc1ccc(Br)cc(C(=O)\C=C\c2ccc(Cl)cc2)c1=O
Show InChI InChI=1S/C17H13BrClNO2/c1-20-15-8-5-12(18)10-14(17(15)22)16(21)9-4-11-2-6-13(19)7-3-11/h2-10H,1H3,(H,20,22)/b9-4+
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3.92E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of Cy5-labeled double-strand DNA probe binding to STAT3 (unknown origin) expressed in H1299 cell lysates assessed as decrease in DNA bindi...


Eur J Med Chem 157: 887-897 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.037
BindingDB Entry DOI: 10.7270/Q27M0BNN
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440956
PNG
(CHEMBL2431967 | US10196373, Compound XW1-055)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C37H37F3N2O7S/c1-25-10-17-32(18-11-25)50(47,48)41(22-27-6-5-9-31(20-27)49-37(38,39)40)24-35(44)42(30-16-19-33(36(45)46)34(43)21-30)23-26-12-14-29(15-13-26)28-7-3-2-4-8-28/h5-6,9-21,28,43H,2-4,7-8,22-24H2,1H3,(H,45,46)
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
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UniChem

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US Patent
4.00E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO; UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC.

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
More data for this
Ligand-Target Pair
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