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Compile Data Set for Download or QSAR

Found 717 hits Enz. Inhib. hit(s) with Target = 'STAT3'   
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
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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PubMed
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
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
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
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
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
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
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
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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337207
PNG
(4-((S)-3-(((S)-1-((6-(Benzylcarbamoyl)-3'-carbamoy...)
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)=O
Show InChI InChI=1S/C44H43N6O9P/c1-27(2)21-38(50-44(55)39(49-41(52)31-15-11-29(25-45)12-16-31)22-28-13-18-35(19-14-28)59-60(56,57)58)43(54)48-34-17-20-36(42(53)47-26-30-7-4-3-5-8-30)37(24-34)32-9-6-10-33(23-32)40(46)51/h3-20,23-24,27,38-39H,21-22,26H2,1-2H3,(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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1.50E+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
Transcription Factor STAT3


(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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337201
PNG
(4-((S)-3-(((S)-1-((5-(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)Nc1cc(cc(c1)-c1cccc(c1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H41N6O8P/c1-28(2)19-39(50-44(54)40(49-42(52)33-15-11-30(25-45)12-16-33)21-29-13-17-38(18-14-29)58-59(55,56)57)43(53)48-37-23-35(34-10-6-9-32(20-34)26-46)22-36(24-37)41(51)47-27-31-7-4-3-5-8-31/h3-18,20,22-24,28,39-40H,19,21,27H2,1-2H3,(H,47,51)(H,48,53)(H,49,52)(H,50,54)(H2,55,56,57)/t39-,40-/m0/s1
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1.80E+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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337200
PNG
(CHEMBL1681829 | Methyl 3'-(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)cc(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C45H44N5O10P/c1-28(2)20-39(50-44(54)40(49-42(52)32-16-12-30(26-46)13-17-32)21-29-14-18-38(19-15-29)60-61(56,57)58)43(53)48-37-24-35(33-10-7-11-34(22-33)45(55)59-3)23-36(25-37)41(51)47-27-31-8-5-4-6-9-31/h4-19,22-25,28,39-40H,20-21,27H2,1-3H3,(H,47,51)(H,48,53)(H,49,52)(H,50,54)(H2,56,57,58)/t39-,40-/m0/s1
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2.30E+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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337203
PNG
(CHEMBL1681826 | Methyl 3'-(benzylcarbamoyl)-5'-((S...)
Show SMILES COC(=O)c1ccc(cc1)-c1cc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)c2ccc(cc2)C#N)cc(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C45H44N5O10P/c1-28(2)21-39(50-44(54)40(49-42(52)33-13-9-30(26-46)10-14-33)22-29-11-19-38(20-12-29)60-61(56,57)58)43(53)48-37-24-35(32-15-17-34(18-16-32)45(55)59-3)23-36(25-37)41(51)47-27-31-7-5-4-6-8-31/h4-20,23-25,28,39-40H,21-22,27H2,1-3H3,(H,47,51)(H,48,53)(H,49,52)(H,50,54)(H2,56,57,58)/t39-,40-/m0/s1
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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-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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20244
PNG
(4-[(2S)-2-{[(1S)-1-{[(1S)-5-amino-1-{[(1S,2R)-1-{[...)
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](CCCCN)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C42H66N9O12P/c1-25(2)22-34(50-41(58)35(46-27(4)53)24-29-16-18-30(19-17-29)63-64(60,61)62)40(57)47-32(15-9-11-21-44)39(56)51-36(26(3)52)42(59)48-31(14-8-10-20-43)38(55)49-33(37(45)54)23-28-12-6-5-7-13-28/h5-7,12-13,16-19,25-26,31-36,52H,8-11,14-15,20-24,43-44H2,1-4H3,(H2,45,54)(H,46,53)(H,47,57)(H,48,59)(H,49,55)(H,50,58)(H,51,56)(H2,60,61,62)/t26?,31-,32-,33-,34-,35-,36-/m0/s1
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2.59E+4 -25.9n/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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337208
PNG
(CHEMBL1684874 | Methyl 2'-(benzylcarbamoyl)-5'-((S...)
Show SMILES COC(=O)c1ccc(cc1)-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)23-39(50-44(54)40(49-41(51)33-13-9-30(26-46)10-14-33)24-29-11-20-36(21-12-29)60-61(56,57)58)43(53)48-35-19-22-37(42(52)47-27-31-7-5-4-6-8-31)38(25-35)32-15-17-34(18-16-32)45(55)59-3/h4-22,25,28,39-40H,23-24,27H2,1-3H3,(H,47,52)(H,48,53)(H,49,51)(H,50,54)(H2,56,57,58)/t39-,40-/m0/s1
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2.60E+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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337204
PNG
(4-((S)-3-(((S)-1-((5-(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)Nc1cc(cc(c1)-c1ccc(cc1)C#N)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H41N6O8P/c1-28(2)20-39(50-44(54)40(49-42(52)34-16-10-31(26-46)11-17-34)21-29-12-18-38(19-13-29)58-59(55,56)57)43(53)48-37-23-35(33-14-8-30(25-45)9-15-33)22-36(24-37)41(51)47-27-32-6-4-3-5-7-32/h3-19,22-24,28,39-40H,20-21,27H2,1-2H3,(H,47,51)(H,48,53)(H,49,52)(H,50,54)(H2,55,56,57)/t39-,40-/m0/s1
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3.60E+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
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM50337202
PNG
(4-((S)-3-(((S)-1-((5-(Benzylcarbamoyl)-3'-carbamoy...)
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)-c1cccc(c1)C(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C44H43N6O9P/c1-27(2)19-38(50-44(55)39(49-42(53)31-15-11-29(25-45)12-16-31)20-28-13-17-37(18-14-28)59-60(56,57)58)43(54)48-36-23-34(32-9-6-10-33(21-32)40(46)51)22-35(24-36)41(52)47-26-30-7-4-3-5-8-30/h3-18,21-24,27,38-39H,19-20,26H2,1-2H3,(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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3.80E+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
STAT3


(Homo sapiens)
BDBM43584
PNG
(2-[(1-methyl-2-benzimidazolyl)methylamino]phenol |...)
Show SMILES Cn1c(CNc2ccccc2O)nc2ccccc12
Show InChI InChI=1S/C15H15N3O/c1-18-13-8-4-2-6-11(13)17-15(18)10-16-12-7-3-5-9-14(12)19/h2-9,16,19H,10H2,1H3
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n/an/a>8.49n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43560
PNG
(4-acetyl-N-(2-methoxyphenyl)-3,5-dimethyl-1H-pyrro...)
Show SMILES COc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C
Show InChI InChI=1S/C16H18N2O3/c1-9-14(11(3)19)10(2)17-15(9)16(20)18-12-7-5-6-8-13(12)21-4/h5-8,17H,1-4H3,(H,18,20)
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n/an/a>25.5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43604
PNG
(MLS000522376 | N-(4-chloranyl-2,5-dimethoxy-phenyl...)
Show SMILES COc1cc(NC(=O)c2cc(on2)C2CC2)c(OC)cc1Cl
Show InChI InChI=1S/C15H15ClN2O4/c1-20-13-6-10(14(21-2)5-9(13)16)17-15(19)11-7-12(22-18-11)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,17,19)
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n/an/a>76n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43595
PNG
(MLS000104263 | N-(1-acetyl-2-chloro-3-indolyl)acet...)
Show SMILES CC(=O)Nc1c(Cl)n(C(C)=O)c2ccccc12
Show InChI InChI=1S/C12H11ClN2O2/c1-7(16)14-11-9-5-3-4-6-10(9)15(8(2)17)12(11)13/h3-6H,1-2H3,(H,14,16)
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n/an/a>76n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20242
PNG
(4-[(2S)-2-{[(2S)-1-[(1R,2S,5S)-2-{[(1S)-1-(benzylc...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCc1ccccc1)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/C42H53N6O10P/c1-26(2)21-35(47-40(52)34(45-37(50)20-15-27-9-5-3-6-10-27)22-28-13-16-31(17-14-28)58-59(55,56)57)42(54)48-25-30-23-32(30)38(48)41(53)46-33(18-19-36(43)49)39(51)44-24-29-11-7-4-8-12-29/h3-14,16-17,26,30,32-35,38H,15,18-25H2,1-2H3,(H2,43,49)(H,44,51)(H,45,50)(H,46,53)(H,47,52)(H2,55,56,57)/t30-,32-,33+,34+,35+,38+/m1/s1
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n/an/a 125n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20193
PNG
(1, Ac-pTyr-Leu-Pro-Gln-Thr-Val-NH2 | 4-[(2S)-2-{[(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C36H57N8O13P/c1-18(2)16-26(41-33(50)25(39-21(6)46)17-22-9-11-23(12-10-22)57-58(54,55)56)36(53)44-15-7-8-27(44)34(51)40-24(13-14-28(37)47)32(49)43-30(20(5)45)35(52)42-29(19(3)4)31(38)48/h9-12,18-20,24-27,29-30,45H,7-8,13-17H2,1-6H3,(H2,37,47)(H2,38,48)(H,39,46)(H,40,51)(H,41,50)(H,42,52)(H,43,49)(H2,54,55,56)/t20?,24-,25-,26-,27-,29-,30-/m0/s1
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n/an/a 150n/an/an/an/a7.822



The University of Texas at Houston



Assay Description
His10-Stat3 was expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with 32P...


Bioorg Med Chem Lett 13: 633-6 (2003)


Article DOI: 10.1016/S0960-894X(02)01050-8
BindingDB Entry DOI: 10.7270/Q2K35RX1
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43614
PNG
(2-(2-keto-4-methyl-pyrimid[1,2-b]indazol-6-yl)-N,N...)
Show SMILES CCCN(CCC)C(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12
Show InChI InChI=1S/C19H24N4O2/c1-4-10-21(11-5-2)18(25)13-22-16-9-7-6-8-15(16)19-20-17(24)12-14(3)23(19)22/h6-9,12H,4-5,10-11,13H2,1-3H3
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n/an/a 174n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43599
PNG
(MLS000520019 | N-(4-chloranyl-2,5-dimethoxy-phenyl...)
Show SMILES COc1cc(NC(=O)c2cc(on2)C(C)C)c(OC)cc1Cl
Show InChI InChI=1S/C15H17ClN2O4/c1-8(2)12-7-11(18-22-12)15(19)17-10-6-13(20-3)9(16)5-14(10)21-4/h5-8H,1-4H3,(H,17,19)
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n/an/a>229n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43632
PNG
(1-(o-anisoylamino)-3-phenyl-thiourea | 1-[(2-metho...)
Show SMILES COc1ccccc1C(=O)NNC(=S)Nc1ccccc1
Show InChI InChI=1S/C15H15N3O2S/c1-20-13-10-6-5-9-12(13)14(19)17-18-15(21)16-11-7-3-2-4-8-11/h2-10H,1H3,(H,17,19)(H2,16,18,21)
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n/an/a>229n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43647
PNG
((4E)-4-(1H-indol-2-ylmethylene)-5-methyl-2-phenyl-...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C=c2ccccc2=N1
Show InChI InChI=1S/C19H15N3O/c1-13-17(12-15-11-14-7-5-6-10-18(14)20-15)19(23)22(21-13)16-8-3-2-4-9-16/h2-12,21H,1H3
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n/an/a>229n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43577
PNG
(MLS000116379 | N-(4-chloranyl-2,5-dimethoxy-phenyl...)
Show SMILES CCCc1cc(no1)C(=O)Nc1cc(OC)c(Cl)cc1OC
Show InChI InChI=1S/C15H17ClN2O4/c1-4-5-9-6-12(18-22-9)15(19)17-11-8-13(20-2)10(16)7-14(11)21-3/h6-8H,4-5H2,1-3H3,(H,17,19)
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n/an/a>229n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20211
PNG
(18, Ac-pTyr-Leu-cis-3,4-methanoPro-Gln-Thr-NH2-1 |...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O
Show InChI InChI=1S/C32H48N7O12P/c1-15(2)11-24(37-30(45)23(35-17(4)41)12-18-5-7-20(8-6-18)51-52(48,49)50)32(47)39-14-19-13-21(19)27(39)31(46)36-22(9-10-25(33)42)29(44)38-26(16(3)40)28(34)43/h5-8,15-16,19,21-24,26-27,40H,9-14H2,1-4H3,(H2,33,42)(H2,34,43)(H,35,41)(H,36,46)(H,37,45)(H,38,44)(H2,48,49,50)/t16?,19-,21-,22+,23+,24+,26+,27+/m1/s1
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n/an/a 265n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20200
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O
Show InChI InChI=1S/C38H54N7O12P/c1-22(2)20-29(38(53)45-19-7-10-30(45)37(52)42-27(16-17-31(39)47)35(50)44-33(23(3)46)34(40)49)43-36(51)28(41-32(48)18-13-24-8-5-4-6-9-24)21-25-11-14-26(15-12-25)57-58(54,55)56/h4-6,8-9,11-12,14-15,22-23,27-30,33,46H,7,10,13,16-21H2,1-3H3,(H2,39,47)(H2,40,49)(H,41,48)(H,42,52)(H,43,51)(H,44,50)(H2,54,55,56)/t23?,27-,28-,29-,30-,33-/m0/s1
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n/an/a 276n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20193
PNG
(1, Ac-pTyr-Leu-Pro-Gln-Thr-Val-NH2 | 4-[(2S)-2-{[(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C(C)C)C(N)=O
Show InChI InChI=1S/C36H57N8O13P/c1-18(2)16-26(41-33(50)25(39-21(6)46)17-22-9-11-23(12-10-22)57-58(54,55)56)36(53)44-15-7-8-27(44)34(51)40-24(13-14-28(37)47)32(49)43-30(20(5)45)35(52)42-29(19(3)4)31(38)48/h9-12,18-20,24-27,29-30,45H,7-8,13-17H2,1-6H3,(H2,37,47)(H2,38,48)(H,39,46)(H,40,51)(H,41,50)(H,42,52)(H,43,49)(H2,54,55,56)/t20?,24-,25-,26-,27-,29-,30-/m0/s1
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n/an/a 290n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20253
PNG
(LIFR (1001) derived peptide, 9 | Y(p)KPQMH)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C38H58N11O12PS/c1-22(50)44-30(18-23-8-10-25(11-9-23)61-62(58,59)60)36(55)47-28(6-3-4-15-39)38(57)49-16-5-7-31(49)37(56)46-26(12-13-32(40)51)34(53)45-27(14-17-63-2)35(54)48-29(33(41)52)19-24-20-42-21-43-24/h8-11,20-21,26-31H,3-7,12-19,39H2,1-2H3,(H2,40,51)(H2,41,52)(H,42,43)(H,44,50)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H2,58,59,60)/t26-,27-,28-,29-,30-,31-/m0/s1
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n/an/a 400n/an/an/an/a7.822



The University of Texas at Houston



Assay Description
His10-Stat3 was expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with 32P...


Bioorg Med Chem Lett 13: 633-6 (2003)


Article DOI: 10.1016/S0960-894X(02)01050-8
BindingDB Entry DOI: 10.7270/Q2K35RX1
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20266
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C34H53N8O13P/c1-17(2)15-25(40-31(48)24(38-20(5)44)16-21-8-10-22(11-9-21)55-56(52,53)54)34(51)42-14-6-7-26(42)32(49)39-23(12-13-27(35)45)30(47)41-28(19(4)43)33(50)37-18(3)29(36)46/h8-11,17-19,23-26,28,43H,6-7,12-16H2,1-5H3,(H2,35,45)(H2,36,46)(H,37,50)(H,38,44)(H,39,49)(H,40,48)(H,41,47)(H2,52,53,54)/t18-,19?,23-,24-,25-,26-,28-/m0/s1
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n/an/a 400n/an/an/an/a7.822



The University of Texas at Houston



Assay Description
His10-Stat3 was expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with 32P...


Bioorg Med Chem Lett 13: 633-6 (2003)


Article DOI: 10.1016/S0960-894X(02)01050-8
BindingDB Entry DOI: 10.7270/Q2K35RX1
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20233
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(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C34H47N6O10P/c1-21(2)18-28(39-32(44)27(37-22(3)41)19-23-11-13-25(14-12-23)50-51(47,48)49)34(46)40-17-7-10-29(40)33(45)38-26(15-16-30(35)42)31(43)36-20-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,26-29H,7,10,15-20H2,1-3H3,(H2,35,42)(H,36,43)(H,37,41)(H,38,45)(H,39,44)(H2,47,48,49)/t26-,27-,28-,29-/m0/s1
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n/an/a 409n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43618
PNG
(3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothio...)
Show SMILES CC(C)CC(=O)NC(=S)Nc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C15H17N3OS2/c1-10(2)8-13(19)17-14(20)18-15-16-12(9-21-15)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,17,18,19,20)
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n/an/a 468n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20210
PNG
(17, Ac-pTyr-Leu-4-hydroxy-Pro-Gln-Thr-NH2 | 4-[(2S...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O
Show InChI InChI=1S/C31H48N7O13P/c1-15(2)11-23(36-29(45)22(34-17(4)40)12-18-5-7-20(8-6-18)51-52(48,49)50)31(47)38-14-19(41)13-24(38)30(46)35-21(9-10-25(32)42)28(44)37-26(16(3)39)27(33)43/h5-8,15-16,19,21-24,26,39,41H,9-14H2,1-4H3,(H2,32,42)(H2,33,43)(H,34,40)(H,35,46)(H,36,45)(H,37,44)(H2,48,49,50)/t16?,19-,21+,22+,23+,24+,26+/m1/s1
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n/an/a 484n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20198
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[...)
Show SMILES CCC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O
Show InChI InChI=1S/C32H50N7O12P/c1-5-26(42)35-22(16-19-8-10-20(11-9-19)51-52(48,49)50)30(45)37-23(15-17(2)3)32(47)39-14-6-7-24(39)31(46)36-21(12-13-25(33)41)29(44)38-27(18(4)40)28(34)43/h8-11,17-18,21-24,27,40H,5-7,12-16H2,1-4H3,(H2,33,41)(H2,34,43)(H,35,42)(H,36,46)(H,37,45)(H,38,44)(H2,48,49,50)/t18?,21-,22-,23-,24-,27-/m0/s1
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n/an/a 497n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43603
PNG
(5-(2-ethoxyphenyl)-1,3,4-oxadiazole-2-thiol | 5-(2...)
Show SMILES CCOc1ccccc1-c1nnc(S)o1
Show InChI InChI=1S/C10H10N2O2S/c1-2-13-8-6-4-3-5-7(8)9-11-12-10(15)14-9/h3-6H,2H2,1H3,(H,12,15)
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n/an/a 521n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43645
PNG
(MLS000621487 | N-(5-chloranyl-2-oxidanyl-phenyl)-2...)
Show SMILES Oc1ccc(Cl)cc1NC(=O)COc1ccccc1Cl
Show InChI InChI=1S/C14H11Cl2NO3/c15-9-5-6-12(18)11(7-9)17-14(19)8-20-13-4-2-1-3-10(13)16/h1-7,18H,8H2,(H,17,19)
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n/an/a 571n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20234
PNG
(4-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C35H49N6O10P/c1-21(2)19-29(40-33(45)28(38-23(4)42)20-24-12-14-26(15-13-24)51-52(48,49)50)35(47)41-18-8-11-30(41)34(46)39-27(16-17-31(36)43)32(44)37-22(3)25-9-6-5-7-10-25/h5-7,9-10,12-15,21-22,27-30H,8,11,16-20H2,1-4H3,(H2,36,43)(H,37,44)(H,38,42)(H,39,46)(H,40,45)(H2,48,49,50)/t22-,27-,28-,29-,30-/m0/s1
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n/an/a 596n/an/an/an/an/an/a



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20195
PNG
(2, Ac-pTyr-Leu-Pro-Gln-Thr-NH2 | 4-[(2S)-2-{[(2S)-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O
Show InChI InChI=1S/C31H48N7O12P/c1-16(2)14-23(36-29(44)22(34-18(4)40)15-19-7-9-20(10-8-19)50-51(47,48)49)31(46)38-13-5-6-24(38)30(45)35-21(11-12-25(32)41)28(43)37-26(17(3)39)27(33)42/h7-10,16-17,21-24,26,39H,5-6,11-15H2,1-4H3,(H2,32,41)(H2,33,42)(H,34,40)(H,35,45)(H,36,44)(H,37,43)(H2,47,48,49)/t17?,21-,22-,23-,24-,26-/m0/s1
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n/an/a 600n/an/an/an/a7.822



The University of Texas at Houston



Assay Description
His10-Stat3 was expressed in Sf9 cells from a baculovirus encoding the recombinant protein. A nuclear extract of the Sf9 cells was incubated with 32P...


Bioorg Med Chem Lett 13: 633-6 (2003)


Article DOI: 10.1016/S0960-894X(02)01050-8
BindingDB Entry DOI: 10.7270/Q2K35RX1
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43611
PNG
(3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-benz...)
Show SMILES Cc1nnc(NC(=O)c2oc3c(ccc4ccccc34)c2C)s1
Show InChI InChI=1S/C17H13N3O2S/c1-9-12-8-7-11-5-3-4-6-13(11)15(12)22-14(9)16(21)18-17-20-19-10(2)23-17/h3-8H,1-2H3,(H,18,20,21)
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n/an/a>619n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43655
PNG
((3Z)-3-[(4-bromanylthiophen-2-yl)methylidene]-1-me...)
Show SMILES CN1C(=O)\C(=C/c2cc(Br)cs2)c2ccccc12
Show InChI InChI=1S/C14H10BrNOS/c1-16-13-5-3-2-4-11(13)12(14(16)17)7-10-6-9(15)8-18-10/h2-8H,1H3/b12-7-
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n/an/a 635n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43639
PNG
(2-[1-(4-ethoxybenzyl)-4-(1H-indol-2-ylmethyl)piper...)
Show SMILES CCOc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2CCO)cc1
Show InChI InChI=1S/C24H31N3O2/c1-2-29-23-9-7-19(8-10-23)16-27-13-12-26(18-22(27)11-14-28)17-21-15-20-5-3-4-6-24(20)25-21/h3-10,15,22,25,28H,2,11-14,16-18H2,1H3
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n/an/a 644n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM40201
PNG
(5-(4-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2...)
Show SMILES COc1cccc2sc(Nc3nnc(o3)-c3ccc(F)cc3)nc12
Show InChI InChI=1S/C16H11FN4O2S/c1-22-11-3-2-4-12-13(11)18-16(24-12)19-15-21-20-14(23-15)9-5-7-10(17)8-6-9/h2-8H,1H3,(H,18,19,21)
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n/an/a>688n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43652
PNG
(MLS000706198 | SMR000288250 | [5-amino-3-(4-chloro...)
Show SMILES Nc1nc(nn1C(=O)c1cccs1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H9ClN4OS/c14-9-5-3-8(4-6-9)11-16-13(15)18(17-11)12(19)10-2-1-7-20-10/h1-7H,(H2,15,16,17)
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n/an/a>688n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43565
PNG
(3-benzyl-4,4,4-trifluoro-2-formamido-3-hydroxy-but...)
Show SMILES COC(=O)C(NC=O)C(O)(Cc1ccccc1)C(F)(F)F
Show InChI InChI=1S/C13H14F3NO4/c1-21-11(19)10(17-8-18)12(20,13(14,15)16)7-9-5-3-2-4-6-9/h2-6,8,10,20H,7H2,1H3,(H,17,18)
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UniChem
PCBioAssay
n/an/a>688n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S46QBK
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM46356
PNG
(DIGITOXIN | MLS000069787 | SMR000058529 | cid_4412...)
Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C
Show InChI InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
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n/an/a 700n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2TQ5ZXW
More data for this
Ligand-Target Pair
Transcription Factor STAT3


(Mus musculus (mouse))
BDBM20205
PNG
(12, Ac-pTyr-Nle-Pro-Gln-Thr-NH2 | 4-[(2S)-2-{[(2S)...)
Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)O)C(N)=O
Show InChI InChI=1S/C31H48N7O12P/c1-4-5-7-22(36-29(44)23(34-18(3)40)16-19-9-11-20(12-10-19)50-51(47,48)49)31(46)38-15-6-8-24(38)30(45)35-21(13-14-25(32)41)28(43)37-26(17(2)39)27(33)42/h9-12,17,21-24,26,39H,4-8,13-16H2,1-3H3,(H2,32,41)(H2,33,42)(H,34,40)(H,35,45)(H,36,44)(H,37,43)(H2,47,48,49)/t17?,21-,22-,23-,24-,26-/m0/s1
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Article
PubMed
n/an/a 717n/an/an/an/a7.522



The University of Texas at Houston



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


J Med Chem 48: 6661-70 (2005)


Article DOI: 10.1021/jm050513m
BindingDB Entry DOI: 10.7270/Q2TH8JZF
More data for this
Ligand-Target Pair
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