Compile Data Set for Download or QSAR

Found 13 hits of ki for UniProtKB: P42227   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Signal transducer and activator of transcription 3 (Mus musculus (mouse))	BDBM50337199 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50337198 ((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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50337207 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50337201 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50337208 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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