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 = 'BDBM50114954'   

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))	BDBM50114954 (2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(2-oxo-1-o...) Show SMILES CC(C(=O)NC1(CCC(CC1)N1CCC(CC1)C1CCC(=O)O1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |(.69,-6.53,;-.59,-5.67,;-.48,-4.14,;-1.76,-3.28,;.9,-3.46,;1.01,-1.93,;1.63,-.52,;.73,.73,;-.8,.57,;-1.43,-.84,;-.52,-2.09,;-1.71,1.81,;-1.08,3.22,;-1.99,4.46,;-3.52,4.3,;-4.14,2.9,;-3.24,1.65,;-4.42,5.55,;-5.96,5.55,;-6.44,7.01,;-5.19,7.92,;-5.19,9.46,;-3.95,7.01,;2.5,-2.3,;3.57,-1.19,;5.07,-1.56,;5.49,-3.04,;4.42,-4.15,;2.93,-3.78,;-1.98,-6.35,;-3.25,-5.49,;-4.64,-6.16,;-4.74,-7.7,;-3.47,-8.56,;-2.08,-7.88,;-3.57,-10.1,;-3.68,-11.63,;-5.11,-9.99,;-2.04,-10.2,;-5.91,-5.3,;-7.19,-4.44,;-5.05,-4.02,;-6.77,-6.58,)| Show InChI InChI=1S/C32H36F6N2O3/c1-20(22-17-24(31(33,34)35)19-25(18-22)32(36,37)38)29(42)39-30(23-5-3-2-4-6-23)13-9-26(10-14-30)40-15-11-21(12-16-40)27-7-8-28(41)43-27/h2-6,17-21,26-27H,7-16H2,1H3,(H,39,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	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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