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 = 'BDBM50114959'   

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))	BDBM50114959 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(1-oxo-2-o...) Show SMILES CC(C(=O)NC1(CCC(CC1)N1CCC(CC1)C1CCOC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(2.74,-.08,;1.53,-1.03,;.1,-.45,;-1.12,-1.4,;-.12,1.07,;-1.54,1.65,;-2.69,2.68,;-4.15,2.21,;-4.47,.7,;-3.33,-.33,;-1.86,.14,;-5.94,.22,;-6.26,-1.28,;-7.72,-1.76,;-8.87,-.73,;-8.55,.78,;-7.08,1.25,;-10.33,-1.2,;-10.81,-2.67,;-12.35,-2.67,;-12.82,-1.2,;-11.58,-.3,;-11.58,1.24,;-.73,2.96,;-1.45,4.32,;-.64,5.62,;.9,5.57,;1.63,4.21,;.81,2.9,;1.74,-2.55,;.53,-3.5,;.74,-5.03,;2.17,-5.6,;3.38,-4.66,;3.17,-3.13,;4.81,-5.23,;6.24,-5.81,;4.23,-6.66,;5.39,-3.8,;-.47,-5.97,;-1.69,-6.92,;-1.42,-4.76,;.48,-7.19,)| Show InChI InChI=1S/C32H36F6N2O3/c1-20(22-17-24(31(33,34)35)19-25(18-22)32(36,37)38)28(41)39-30(23-5-3-2-4-6-23)12-7-26(8-13-30)40-14-9-21(10-15-40)27-11-16-43-29(27)42/h2-6,17-21,26-27H,7-16H2,1H3,(H,39,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	490	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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