Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50014502   

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
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143557 ((E)-3-(2-Fluoro-phenyl)-N-[1-((S)-4-methyl-3,4-dih...) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1ccc2OCCN(C)c2c1 Show InChI InChI=1S/C20H21FN2O2/c1-14(16-7-9-19-18(13-16)23(2)11-12-25-19)22-20(24)10-8-15-5-3-4-6-17(15)21/h3-10,13-14H,11-12H2,1-2H3,(H,22,24)/b10-8+/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	940	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50130610 ((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1 Show InChI InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143561 ((E)-N-[(S)-1-(3,4-Dihydro-2H-benzo[1,4]oxazin-6-yl...) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1ccc2OCCNc2c1 Show InChI InChI=1S/C19H19FN2O2/c1-13(15-6-8-18-17(12-15)21-10-11-24-18)22-19(23)9-7-14-4-2-3-5-16(14)20/h2-9,12-13,21H,10-11H2,1H3,(H,22,23)/b9-7+/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143560 ((E)-N-[(S)-1-(4-Cyclopropylmethyl-3,4-dihydro-2H-b...) Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1ccc2OCCN(CC3CC3)c2c1 Show InChI InChI=1S/C23H25FN2O2/c1-16(25-23(27)11-9-18-4-2-3-5-20(18)24)19-8-10-22-21(14-19)26(12-13-28-22)15-17-6-7-17/h2-5,8-11,14,16-17H,6-7,12-13,15H2,1H3,(H,25,27)/b11-9+/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143559 ((E)-N-[1-((S)-4-Ethyl-3,4-dihydro-2H-benzo[1,4]oxa...) Show SMILES CCN1CCOc2ccc(cc12)[C@H](C)NC(=O)\C=C\c1ccccc1F Show InChI InChI=1S/C21H23FN2O2/c1-3-24-12-13-26-20-10-8-17(14-19(20)24)15(2)23-21(25)11-9-16-6-4-5-7-18(16)22/h4-11,14-15H,3,12-13H2,1-2H3,(H,23,25)/b11-9+/t15-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2 (Mus musculus)	BDBM50143558 (CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...) Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV				Bioorg Med Chem Lett 14: 1991-5 (2004) Article DOI: 10.1016/j.bmcl.2004.01.069 BindingDB Entry DOI: 10.7270/Q2MG7NZ3
					More data for this Ligand-Target Pair				3D Structure (crystal)