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 = 'BDBM50114958'   

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))	BDBM50114958 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-hydroxy...) Show SMILES CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(8.82,.79,;9.59,-.56,;8.82,-1.89,;9.45,-3.3,;7.28,-1.54,;5.93,-2.99,;7.26,-3.76,;7.26,-5.3,;5.93,-6.06,;4.62,-5.3,;4.62,-3.76,;5.93,-7.59,;7.26,-8.36,;7.26,-9.91,;5.93,-10.67,;5.93,-11.88,;4.6,-9.9,;4.6,-8.36,;5.08,-1.66,;5.79,-.26,;4.93,1.04,;3.37,.96,;2.64,-.45,;3.52,-1.76,;11.12,-.56,;11.12,-2.11,;12.45,-2.88,;13.79,-2.11,;13.79,-.56,;12.45,.21,;15.12,.23,;16.45,-.54,;15.11,1.76,;15.52,-1.27,;12.45,-4.42,;11.12,-5.19,;13.79,-5.19,;10.97,-4.02,)| Show InChI InChI=1S/C28H32F6N2O2/c1-18(19-15-21(27(29,30)31)17-22(16-19)28(32,33)34)25(38)35-26(20-5-3-2-4-6-20)11-7-23(8-12-26)36-13-9-24(37)10-14-36/h2-6,15-18,23-24,37H,7-14H2,1H3,(H,35,38)/t18?,23-,26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+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 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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