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 = 'BDBM50113631'   

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))	BDBM50113631 (CHEMBL3604688) Show SMILES COc1ccc2ncc(F)c(CCC34CCC(CC3)(CO4)NCc3nc4NC(=O)COc4cc3F)c2n1 |(-4.02,2.78,;-4.02,1.54,;-2.69,.77,;-2.69,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;2.67,.77,;3.74,1.39,;1.33,1.54,;1.34,3.08,;2.67,3.85,;2.68,5.4,;4.17,5.57,;4.56,7.06,;3.46,8.16,;3.81,6.67,;2.27,6.67,;1.98,7.74,;1.58,6.27,;3.9,9.61,;5.41,9.96,;5.86,11.44,;4.8,12.57,;5.24,14.05,;4.19,15.17,;4.63,16.64,;3.78,17.54,;6.13,17,;7.18,15.88,;6.74,14.4,;7.79,13.28,;7.36,11.79,;8.2,10.89,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C26H27F2N5O4/c1-35-22-3-2-18-23(33-22)15(17(28)11-29-18)4-5-26-8-6-25(7-9-26,14-37-26)30-12-19-16(27)10-20-24(31-19)32-21(34)13-36-20/h2-3,10-11,30H,4-9,12-14H2,1H3,(H,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of MK499 binding to human ERG				Bioorg Med Chem Lett 25: 3636-43 (2015) Article DOI: 10.1016/j.bmcl.2015.06.057 BindingDB Entry DOI: 10.7270/Q2VH5QNN
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