Compile Data Set for Download or QSAR

Found 1062 hits with Last Name = 'gunning' and Initial = 'pt'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50583624 (CHEMBL5075135) Show SMILES ONC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human HDAC6 by jump dilution assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01922 BindingDB Entry DOI: 10.7270/Q2NC6530
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50603512 (CHEMBL5177475) Show SMILES CC(C)N(Cc1ccc(cc1)C(=O)NO)S(=O)(=O)c1cc(F)c(F)c(F)c1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01585 BindingDB Entry DOI: 10.7270/Q2QV3RKM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50595960 (CHEMBL5192865) Show SMILES ONC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00420 BindingDB Entry DOI: 10.7270/Q2MP579X
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50595960 (CHEMBL5192865) Show SMILES ONC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01585 BindingDB Entry DOI: 10.7270/Q2QV3RKM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	<35	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519457 (CHEMBL4452620) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)14-8-4-12(5-9-14)16(21)19-15-10-6-13(7-11-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	35	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033887 (CHEMBL3358611) Show SMILES CC(C)(C)c1cc(CN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccc(C(O)=O)c(O)c2)cc(c1)C(C)(C)C Show InChI InChI=1S/C37H36ClF5N2O6S/c1-36(2,3)22-13-21(14-23(15-22)37(4,5)6)18-45(25-11-12-26(35(48)49)27(46)16-25)28(47)19-44(17-20-7-9-24(38)10-8-20)52(50,51)34-32(42)30(40)29(39)31(41)33(34)43/h7-16,46H,17-19H2,1-6H3,(H,48,49)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	146	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 STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519456 (CHEMBL4565296) Show SMILES CC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O3/c1-14(23)22(18-11-7-16(8-12-18)19(24)21-25)13-15-5-9-17(10-6-15)20(2,3)4/h5-12,25H,13H2,1-4H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	199	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519455 (CHEMBL4559559) Show SMILES CC(C)(C)OC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H30N2O4/c1-22(2,3)18-11-7-16(8-12-18)15-25(21(27)29-23(4,5)6)19-13-9-17(10-14-19)20(26)24-28/h7-14,28H,15H2,1-6H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	201	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519450 (CHEMBL4560533) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C26H28FN3O5S/c1-26(2,3)20-8-4-18(5-9-20)17-30(22-12-6-19(7-13-22)25(32)29-33)24(31)16-28-36(34,35)23-14-10-21(27)11-15-23/h4-15,28,33H,16-17H2,1-3H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	293	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519448 (CHEMBL4472310) Show SMILES CC(C)(C)c1ccc(CNc2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C18H22N2O2/c1-18(2,3)15-8-4-13(5-9-15)12-19-16-10-6-14(7-11-16)17(21)20-22/h4-11,19,22H,12H2,1-3H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	451	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519451 (CHEMBL4565392) Show SMILES CN(C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H17F6N3O5S/c1-31(14-6-2-12(3-7-14)23(34)30-35)17(33)11-32(38(36,37)15-8-4-13(24)5-9-15)10-16-18(25)20(27)22(29)21(28)19(16)26/h2-9,35H,10-11H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	573	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519453 (CHEMBL4576056) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H30FN3O5S/c1-27(2,3)21-9-5-19(6-10-21)17-31(23-13-7-20(8-14-23)26(33)29-34)25(32)18-30(4)37(35,36)24-15-11-22(28)12-16-24/h5-16,34H,17-18H2,1-4H3,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	768	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519454 (CHEMBL4464527) Show SMILES CN(CC(=O)N(C)c1ccc(cc1)C(=O)NO)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H18FN3O5S/c1-20(27(25,26)15-9-5-13(18)6-10-15)11-16(22)21(2)14-7-3-12(4-8-14)17(23)19-24/h3-10,24H,11H2,1-2H3,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	793	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519449 (CHEMBL4437895) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CN(Cc2c(F)c(F)c(F)c(F)c2F)S(C)(=O)=O)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C28H28F5N3O5S/c1-28(2,3)18-9-5-16(6-10-18)13-36(19-11-7-17(8-12-19)27(38)34-39)21(37)15-35(42(4,40)41)14-20-22(29)24(31)26(33)25(32)23(20)30/h5-12,39H,13-15H2,1-4H3,(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.09E+3	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50131833 (CHEMBL3632912) Show SMILES OC(=O)c1ccc(NC(=O)Cn2cc(CN(CC(=O)N(Cc3ccc(cc3)C3CCCCC3)c3ccc(C(O)=O)c(O)c3)S(=O)(=O)c3cccc4cccnc34)nn2)cc1O Show InChI InChI=1S/C43H41N7O10S/c51-36-20-31(15-17-34(36)42(55)56)45-39(53)25-48-23-32(46-47-48)24-49(61(59,60)38-10-4-8-30-9-5-19-44-41(30)38)26-40(54)50(33-16-18-35(43(57)58)37(52)21-33)22-27-11-13-29(14-12-27)28-6-2-1-3-7-28/h4-5,8-21,23,28,51-52H,1-3,6-7,22,24-26H2,(H,45,53)(H,55,56)(H,57,58)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.83E+3	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 Binding affinity against delta opioid receptor in mouse hot plate test				ACS Med Chem Lett 6: 982-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00171 BindingDB Entry DOI: 10.7270/Q2542QDC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519458 (CHEMBL4563224) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C29H21F6N3O5S/c30-19-8-12-21(13-9-19)44(42,43)37(15-22-24(31)26(33)28(35)27(34)25(22)32)16-23(39)38(14-17-4-2-1-3-5-17)20-10-6-18(7-11-20)29(40)36-41/h1-13,41H,14-16H2,(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.86E+3	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50353445 (CHEMBL1829862 | US10196373, Compound 45B) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+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-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50382460 (CHEMBL2023985 | US10196373, Compound 27NA) Show SMILES COC(=O)c1cccc(c1)-c1ccc(cc1)-c1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccc(C(O)=O)c(O)c2)cc1 Show InChI InChI=1S/C38H34N2O8S/c1-25-7-18-33(19-8-25)49(46,47)39(2)24-36(42)40(32-17-20-34(37(43)44)35(41)22-32)23-26-9-11-27(12-10-26)28-13-15-29(16-14-28)30-5-4-6-31(21-30)38(45)48-3/h4-22,41H,23-24H2,1-3H3,(H,43,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+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 fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50382460 (CHEMBL2023985 | US10196373, Compound 27NA) Show SMILES COC(=O)c1cccc(c1)-c1ccc(cc1)-c1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccc(C(O)=O)c(O)c2)cc1 Show InChI InChI=1S/C38H34N2O8S/c1-25-7-18-33(19-8-25)49(46,47)39(2)24-36(42)40(32-17-20-34(37(43)44)35(41)22-32)23-26-9-11-27(12-10-26)28-13-15-29(16-14-28)30-5-4-6-31(21-30)38(45)48-3/h4-22,41H,23-24H2,1-3H3,(H,43,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+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 radioligand from the STAT1 after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50382463 (CHEMBL2023989) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C Show InChI InChI=1S/C34H40N2O8S/c1-23-10-17-28(18-11-23)45(42,43)36(33(41)44-34(2,3)4)22-31(38)35(27-16-19-29(32(39)40)30(37)20-27)21-24-12-14-26(15-13-24)25-8-6-5-7-9-25/h10-20,25,37H,5-9,21-22H2,1-4H3,(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+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-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519452 (CHEMBL4520400) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CN(Cc2c(F)c(F)c(F)c(F)c2F)S(=O)(=O)c2ccc(F)cc2)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C33H29F6N3O5S/c1-33(2,3)21-8-4-19(5-9-21)16-42(23-12-6-20(7-13-23)32(44)40-45)26(43)18-41(48(46,47)24-14-10-22(34)11-15-24)17-25-27(35)29(37)31(39)30(38)28(25)36/h4-15,45H,16-18H2,1-3H3,(H,40,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.60E+3	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 recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50382460 (CHEMBL2023985 | US10196373, Compound 27NA) Show SMILES COC(=O)c1cccc(c1)-c1ccc(cc1)-c1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccc(C(O)=O)c(O)c2)cc1 Show InChI InChI=1S/C38H34N2O8S/c1-25-7-18-33(19-8-25)49(46,47)39(2)24-36(42)40(32-17-20-34(37(43)44)35(41)22-32)23-26-9-11-27(12-10-26)28-13-15-29(16-14-28)30-5-4-6-31(21-30)38(45)48-3/h4-22,41H,23-24H2,1-3H3,(H,43,44)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80E+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-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50353444 (CHEMBL1829870 | US10196373, Compound 45C) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+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-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50033944 (CHEMBL3358598) Show SMILES CN(CC(=O)N(Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C34H44N2O6S/c1-21-13-22(2)31(23(3)14-21)43(41,42)35(10)20-30(38)36(27-11-12-28(32(39)40)29(37)18-27)19-24-15-25(33(4,5)6)17-26(16-24)34(7,8)9/h11-18,37H,19-20H2,1-10H3,(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.77E+3	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 STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50382459 (CHEMBL2023986 | US10196373, Compound 27NH) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C37H33N3O7S/c1-24-3-18-32(19-4-24)48(46,47)39(2)23-35(42)40(31-17-20-33(37(44)45)34(41)21-31)22-25-5-7-26(8-6-25)27-9-11-28(12-10-27)29-13-15-30(16-14-29)36(38)43/h3-21,41H,22-23H2,1-2H3,(H2,38,43)(H,44,45)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+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-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50353440 (CHEMBL1829864 | US10196373, Compound 45F) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2cccnc12 Show InChI InChI=1S/C32H33N3O6S/c1-34(42(40,41)29-11-5-9-25-10-6-18-33-31(25)29)21-30(37)35(26-16-17-27(32(38)39)28(36)19-26)20-22-12-14-24(15-13-22)23-7-3-2-4-8-23/h5-6,9-19,23,36H,2-4,7-8,20-21H2,1H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.66E+3	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 Binding affinity against delta opioid receptor in mouse hot plate test				ACS Med Chem Lett 6: 982-6 (2015) Article DOI: 10.1021/acsmedchemlett.5b00171 BindingDB Entry DOI: 10.7270/Q2542QDC
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50353444 (CHEMBL1829870 | US10196373, Compound 45C) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+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 fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50353444 (CHEMBL1829870 | US10196373, Compound 45C) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20E+3	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 STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 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 1 (Mus musculus)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6.30E+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-GpYDKPHVL-NH2 from mouse recombinant His-tagged STAT1-SH2 domain expressed in Escherichia coli BL21 (DE3) by flu...				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 5B (Homo sapiens (Human))	BDBM50033946 (CHEMBL3358596) Show SMILES CN(CC(=O)N(Cc1ccc2ccccc2c1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C30H30N2O6S/c1-19-13-20(2)29(21(3)14-19)39(37,38)31(4)18-28(34)32(25-11-12-26(30(35)36)27(33)16-25)17-22-9-10-23-7-5-6-8-24(23)15-22/h5-16,33H,17-18H2,1-4H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.62E+3	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 STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay				ACS Med Chem Lett 5: 1202-1206 (2014) Article DOI: 10.1021/ml500165r BindingDB Entry DOI: 10.7270/Q25X2BJJ
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50382461 (CHEMBL2023987 | US10196373, Compound 27KG) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C36H36N4O8S2/c1-25-3-12-31(13-4-25)49(45,46)38(2)24-35(42)40(30-11-16-33(36(43)44)34(41)21-30)23-27-5-9-28(10-6-27)29-17-19-39(20-18-29)50(47,48)32-14-7-26(22-37)8-15-32/h3-16,21,29,41H,17-20,23-24H2,1-2H3,(H,43,44)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+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-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50382463 (CHEMBL2023989) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C Show InChI InChI=1S/C34H40N2O8S/c1-23-10-17-28(18-11-23)45(42,43)36(33(41)44-34(2,3)4)22-31(38)35(27-16-19-29(32(39)40)30(37)20-27)21-24-12-14-26(15-13-24)25-8-6-5-7-9-25/h10-20,25,37H,5-9,21-22H2,1-4H3,(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+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 fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 5B (Homo sapiens (Human))	BDBM50353435 (CHEMBL1829874 | US10196373, Compound 45K) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H31ClN2O6S/c1-31(39(37,38)25-14-11-23(30)12-15-25)19-28(34)32(24-13-16-26(29(35)36)27(33)17-24)18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h7-17,21,33H,2-6,18-19H2,1H3,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90E+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-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50353445 (CHEMBL1829862 | US10196373, Compound 45B) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+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 fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50353445 (CHEMBL1829862 | US10196373, Compound 45B) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	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 STAT3 using fluorescent probe 5-carboxyfluorescein-GpYLPQTV-NH2 after 15 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 5B (Homo sapiens (Human))	BDBM50382464 (CHEMBL2024086) Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C Show InChI InChI=1S/C28H30N2O8S/c1-19-10-13-22(14-11-19)39(36,37)30(27(35)38-28(2,3)4)18-25(32)29(17-20-8-6-5-7-9-20)21-12-15-23(26(33)34)24(31)16-21/h5-16,31H,17-18H2,1-4H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+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-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50382461 (CHEMBL2023987 | US10196373, Compound 27KG) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C36H36N4O8S2/c1-25-3-12-31(13-4-25)49(45,46)38(2)24-35(42)40(30-11-16-33(36(43)44)34(41)21-30)23-27-5-9-28(10-6-27)29-17-19-39(20-18-29)50(47,48)32-14-7-26(22-37)8-15-32/h3-16,21,29,41H,17-20,23-24H2,1-2H3,(H,43,44)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40E+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 fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50382459 (CHEMBL2023986 | US10196373, Compound 27NH) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C37H33N3O7S/c1-24-3-18-32(19-4-24)48(46,47)39(2)23-35(42)40(31-17-20-33(37(44)45)34(41)21-31)22-25-5-7-26(8-6-25)27-9-11-28(12-10-27)29-13-15-30(16-14-29)36(38)43/h3-21,41H,22-23H2,1-2H3,(H2,38,43)(H,44,45)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40E+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 fluorescein-labeled phosphotyrosine-peptide derived from the interleukin-6 receptor subunit gp130 from the STAT3 after 15 mins by flu...				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50353444 (CHEMBL1829870 | US10196373, Compound 45C) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C35H36N2O6S/c1-36(44(42,43)31-19-16-29(17-20-31)27-10-6-3-7-11-27)24-34(39)37(30-18-21-32(35(40)41)33(38)22-30)23-25-12-14-28(15-13-25)26-8-4-2-5-9-26/h3,6-7,10-22,26,38H,2,4-5,8-9,23-24H2,1H3,(H,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.80E+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 radioligand from the STAT1 after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (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 1-alpha/beta (Homo sapiens (Human))	BDBM50382459 (CHEMBL2023986 | US10196373, Compound 27NH) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C37H33N3O7S/c1-24-3-18-32(19-4-24)48(46,47)39(2)23-35(42)40(31-17-20-33(37(44)45)34(41)21-31)22-25-5-7-26(8-6-25)27-9-11-28(12-10-27)29-13-15-30(16-14-29)36(38)43/h3-21,41H,22-23H2,1-2H3,(H2,38,43)(H,44,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.50E+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 radioligand from the STAT1 after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50353445 (CHEMBL1829862 | US10196373, Compound 45B) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C Show InChI InChI=1S/C32H38N2O6S/c1-21-16-22(2)31(23(3)17-21)41(39,40)33(4)20-30(36)34(27-14-15-28(32(37)38)29(35)18-27)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h10-18,25,35H,5-9,19-20H2,1-4H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70E+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 radioligand from the STAT1 after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50446146 (CHEMBL3108909) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(O)=O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H27F5N2O5S/c1-35(42(40,41)28-26(33)24(31)23(30)25(32)27(28)34)16-22(37)36(21-13-11-20(12-14-21)29(38)39)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18H,2-6,15-16H2,1H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 at Mississauga Curated by ChEMBL					Assay Description Competitive binding affinity to STAT3 SH2 domain (unknown origin) assessed as inhibition of interaction with FAMpYLPQTV after 15 to 30 mins by fluore...				ACS Med Chem Lett 4: 1102-7 (2013) Article DOI: 10.1021/ml4003138 BindingDB Entry DOI: 10.7270/Q2D2202P
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50446145 (CHEMBL3108910) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(cc1)C(=O)NO)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H28F5N3O5S/c1-36(43(41,42)28-26(33)24(31)23(30)25(32)27(28)34)16-22(38)37(21-13-11-20(12-14-21)29(39)35-40)15-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h7-14,18,40H,2-6,15-16H2,1H3,(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 at Mississauga Curated by ChEMBL					Assay Description Competitive binding affinity to STAT3 SH2 domain (unknown origin) assessed as inhibition of interaction with FAMpYLPQTV after 15 to 30 mins by fluore...				ACS Med Chem Lett 4: 1102-7 (2013) Article DOI: 10.1021/ml4003138 BindingDB Entry DOI: 10.7270/Q2D2202P
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50446144 (CHEMBL3108911) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(F)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C29H26F6N2O5S/c1-36(43(41,42)28-26(34)24(32)23(31)25(33)27(28)35)15-22(38)37(19-11-12-20(29(39)40)21(30)13-19)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h7-13,17H,2-6,14-15H2,1H3,(H,39,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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 at Mississauga Curated by ChEMBL					Assay Description Competitive binding affinity to STAT3 SH2 domain (unknown origin) assessed as inhibition of interaction with FAMpYLPQTV after 15 to 30 mins by fluore...				ACS Med Chem Lett 4: 1102-7 (2013) Article DOI: 10.1021/ml4003138 BindingDB Entry DOI: 10.7270/Q2D2202P
					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 5B (Homo sapiens (Human))	BDBM50382462 (CHEMBL2023988 | US10196373, Compound 27KI) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C36H38N4O7S/c1-24-3-14-31(15-4-24)48(46,47)38(2)23-34(42)40(30-13-16-32(36(44)45)33(41)21-30)22-25-5-7-26(8-6-25)27-17-19-39(20-18-27)29-11-9-28(10-12-29)35(37)43/h3-16,21,27,41H,17-20,22-23H2,1-2H3,(H2,37,43)(H,44,45)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+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-labeled GpYLVLDKW from the STAT5b-SH2 domain after 15 mins by fluorescent polarization assay				J Med Chem 55: 1047-55 (2012) Article DOI: 10.1021/jm200720n BindingDB Entry DOI: 10.7270/Q25D8SV2
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (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

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