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Compile Data Set for Download or QSAR

Found 18 hits of ki data for polymerid = 2056,2057   
Target
(Institution)
LigandTarget
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
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 -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)

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 -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)

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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PubMed
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)

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)

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 -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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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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PubMed
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)

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)

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)

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)

More data for this
Ligand-Target Pair