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Compile Data Set for Download or QSAR

Found 18 hits of ki for UniProtKB: P42227   
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 [127-722]


(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 |r|
Show InChI InChI=1S/C37H45N6O11P/c38-32(44)19-18-29(34(46)39-22-26-9-3-1-4-10-26)40-33(45)23-43-20-8-7-13-30(36(43)48)41-35(47)31(42-37(49)53-24-27-11-5-2-6-12-27)21-25-14-16-28(17-15-25)54-55(50,51)52/h1-6,9-12,14-17,29-31H,7-8,13,18-24H2,(H2,38,44)(H,39,46)(H,40,45)(H,41,47)(H,42,49)(H2,50,51,52)/t29-,30-,31-/m0/s1
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 190 -9.07n/an/an/an/an/a7.522



University of Michigan at Ann Arbor



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

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


Article DOI: 10.1016/j.bmcl.2009.01.091
BindingDB Entry DOI: 10.7270/Q2GB22DC
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [127-722]


(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 |r|
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 -8.71n/an/an/an/an/a7.522



University of Michigan at Ann Arbor



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

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


Article DOI: 10.1016/j.bmcl.2009.01.091
BindingDB Entry DOI: 10.7270/Q2GB22DC
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [127-722]


(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 |r|
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 -7.43n/an/an/an/an/a7.522



University of Michigan at Ann Arbor



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

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


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


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



University of Toronto

Curated by ChEMBL


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

Bioorg Med Chem 19: 1823-38 (2011)


Article DOI: 10.1016/j.bmc.2010.12.010
BindingDB Entry DOI: 10.7270/Q2HQ4058
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3 [127-722]


(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 |r|
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 -6.93n/an/an/an/an/a7.522



University of Michigan



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

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


Article DOI: 10.1016/j.bmcl.2007.04.096
BindingDB Entry DOI: 10.7270/Q2PR7T8K
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


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



University of Toronto

Curated by ChEMBL


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

Bioorg Med Chem 19: 1823-38 (2011)


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


(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 |r|
Show InChI InChI=1S/C45H44N5O10P/c1-28(2)22-39(50-44(54)40(49-41(51)32-16-12-30(26-46)13-17-32)23-29-14-19-36(20-15-29)60-61(56,57)58)43(53)48-35-18-21-37(42(52)47-27-31-8-5-4-6-9-31)38(25-35)33-10-7-11-34(24-33)45(55)59-3/h4-21,24-25,28,39-40H,22-23,27H2,1-3H3,(H,47,52)(H,48,53)(H,49,51)(H,50,54)(H2,56,57,58)/t39-,40-/m0/s1
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 1.00E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


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

Bioorg Med Chem 19: 1823-38 (2011)


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


(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 |r|
Show InChI InChI=1S/C44H41N6O8P/c1-28(2)22-39(50-44(54)40(49-41(51)34-16-10-31(26-46)11-17-34)23-29-12-19-36(20-13-29)58-59(55,56)57)43(53)48-35-18-21-37(42(52)47-27-32-6-4-3-5-7-32)38(24-35)33-14-8-30(25-45)9-15-33/h3-21,24,28,39-40H,22-23,27H2,1-2H3,(H,47,52)(H,48,53)(H,49,51)(H,50,54)(H2,55,56,57)/t39-,40-/m0/s1
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 1.10E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


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

Bioorg Med Chem 19: 1823-38 (2011)


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


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



University of Toronto

Curated by ChEMBL


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

Bioorg Med Chem 19: 1823-38 (2011)


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


(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 |r|
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
Signal transducer and activator of transcription 3


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



University of Toronto Mississauga

Curated by ChEMBL


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

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


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


(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 |r|
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
Signal transducer and activator of transcription 3


(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 |r|
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
Signal transducer and activator of transcription 3


(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 |r|
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
Signal transducer and activator of transcription 3 [127-722]


(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 |r|
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 -6.19n/an/an/an/an/a7.522



University of Michigan



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

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


Article DOI: 10.1016/j.bmcl.2007.04.096
BindingDB Entry DOI: 10.7270/Q2PR7T8K
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(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 |r|
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
Signal transducer and activator of transcription 3


(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 |r|
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
Signal transducer and activator of transcription 3


(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 |r|
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