Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50179779'   

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))	BDBM50179779 (2-(3,5-bis(trifluoromethyl)phenyl)-N-((1r,4r)-4-(3...) Show SMILES CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCN(C(=O)C1)c1ccccc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(16.42,-28.4,;16.42,-29.94,;15.09,-30.71,;15.11,-32.24,;13.76,-29.94,;12.44,-30.72,;13.76,-31.5,;13.76,-33.04,;12.44,-33.8,;11.11,-33.04,;11.11,-31.5,;12.44,-35.34,;11.1,-36.11,;11.1,-37.64,;12.42,-38.42,;13.76,-37.65,;15.09,-38.43,;13.77,-36.11,;12.42,-39.95,;11.08,-40.72,;11.07,-42.25,;12.4,-43.03,;13.74,-42.26,;13.74,-40.73,;11.09,-29.95,;11.09,-28.4,;9.75,-27.63,;8.41,-28.41,;8.42,-29.97,;9.76,-30.73,;17.77,-30.68,;19.08,-29.9,;20.42,-30.65,;20.44,-32.2,;19.11,-32.98,;17.77,-32.22,;19.12,-34.52,;19.11,-36.05,;20.66,-34.52,;17.58,-34.52,;21.75,-29.86,;23.07,-29.08,;20.96,-28.54,;22.53,-31.19,)| Show InChI InChI=1S/C33H33F6N3O2/c1-22(23-18-25(32(34,35)36)20-26(19-23)33(37,38)39)30(44)40-31(24-8-4-2-5-9-24)14-12-27(13-15-31)41-16-17-42(29(43)21-41)28-10-6-3-7-11-28/h2-11,18-20,22,27H,12-17,21H2,1H3,(H,40,44)/t22?,27-,31-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labelled MK-499 from cloned channel hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 1197-201 (2006) Article DOI: 10.1016/j.bmcl.2005.11.111 BindingDB Entry DOI: 10.7270/Q2JM296Z
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