Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50037916   

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 H member 2 (Homo sapiens (Human))	BDBM50214370 (CHEMBL227134 | N-(4-{2-[[2-(4-methanesulfonylamino...) Show SMILES CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+]([O-])=O)c3nonc23)cc1 Show InChI InChI=1S/C24H26N6O8S2/c1-39(33,34)27-18-5-3-17(4-6-18)13-14-29(21-11-12-22(30(31)32)24-23(21)25-38-26-24)15-16-37-20-9-7-19(8-10-20)28-40(2,35)36/h3-12,27-28H,13-16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Blockade of hERG expressed in HEK293 cells by whole-cell patch clamp method				J Med Chem 50: 2931-41 (2007) Article DOI: 10.1021/jm0700565 BindingDB Entry DOI: 10.7270/Q2736RR2
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50031720 ((Dofetilide) N-[4-(2-{[2-(4-Methanesulfonylamino-p...) Show SMILES CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	DrugBank Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Blockade of hERG expressed in HEK293 cells by whole-cell patch clamp method				J Med Chem 50: 2931-41 (2007) Article DOI: 10.1021/jm0700565 BindingDB Entry DOI: 10.7270/Q2736RR2
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50214372 (24-{[(6-{[2-(4-methanesulfonamidophenoxy)ethyl][2-...) Show SMILES CC1(C)C2=C3CC4C(CC[N+]5=C4C(C)(C)c4cc(ccc54)S([O-])(=O)=O)OC3CCN2c2ccc(CC(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)cc12 |w:26.28,6.5,7.27,c:3,10| Show InChI InChI=1S/C55H70N6O10S3/c1-54(2)45-33-38(13-21-47(45)60-29-24-49-43(52(54)60)36-44-50(71-49)25-30-61-48-22-20-42(74(67,68)69)35-46(48)55(3,4)53(44)61)34-51(62)56-26-9-7-8-10-27-59(28-23-37-11-14-39(15-12-37)57-72(5,63)64)31-32-70-41-18-16-40(17-19-41)58-73(6,65)66/h11-22,33,35,44,49-50,57-58H,7-10,23-32,34,36H2,1-6H3,(H-,56,62,67,68,69)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Blockade of hERG expressed in HEK293 cells by whole-cell patch clamp method				J Med Chem 50: 2931-41 (2007) Article DOI: 10.1021/jm0700565 BindingDB Entry DOI: 10.7270/Q2736RR2
					More data for this Ligand-Target Pair