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 = 'BDBM50114960'   

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))	BDBM50114960 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(1-oxa-8-a...) Show SMILES CC(C(=O)N[C@]1(CCC(CC1)N1CCC2(CCCO2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,(-.27,.88,;.5,-.45,;-.26,-1.78,;.36,-3.2,;-1.81,-1.43,;-3.15,-2.89,;-1.82,-3.67,;-1.82,-5.21,;-3.15,-5.97,;-4.47,-5.21,;-4.47,-3.67,;-3.15,-7.51,;-4.5,-8.27,;-4.5,-9.81,;-3.17,-10.58,;-4.41,-11.49,;-3.94,-12.95,;-2.4,-12.95,;-1.93,-11.49,;-1.84,-9.81,;-1.82,-8.27,;-4.01,-1.57,;-3.29,-.17,;-4.15,1.14,;-5.73,1.07,;-6.44,-.36,;-5.57,-1.66,;2.04,-.47,;3.37,.32,;4.7,-.45,;4.7,-2.01,;3.37,-2.78,;2.04,-2.01,;3.37,-4.32,;2.04,-5.09,;4.7,-5.09,;1.87,-3.92,;6.03,.32,;7.37,-.44,;6.03,1.86,;6.44,-1.17,)| Show InChI InChI=1S/C31H36F6N2O2/c1-21(22-18-24(30(32,33)34)20-25(19-22)31(35,36)37)27(40)38-29(23-6-3-2-4-7-23)11-8-26(9-12-29)39-15-13-28(14-16-39)10-5-17-41-28/h2-4,6-7,18-21,26H,5,8-17H2,1H3,(H,38,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	730	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 Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)				Bioorg Med Chem Lett 12: 1759-62 (2002) BindingDB Entry DOI: 10.7270/Q2P55MV3
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