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 = 'BDBM50517286'   

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))	BDBM50517286 (CHEMBL4516798) Show SMILES COc1ccccc1-c1n[nH]c2nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)CCC(F)(F)F)nc(OC)c12 |r,wU:15.15,wD:18.22,(27.63,-17.54,;29.14,-17.85,;30.16,-16.7,;29.67,-15.24,;30.7,-14.08,;32.21,-14.4,;32.69,-15.86,;31.66,-17.01,;32.15,-18.46,;31.24,-19.72,;32.16,-20.97,;33.63,-20.48,;34.96,-21.25,;36.3,-20.48,;37.63,-21.25,;38.96,-20.48,;38.95,-18.94,;40.29,-18.17,;41.62,-18.95,;41.62,-20.49,;40.29,-21.25,;42.96,-18.18,;44.29,-18.95,;45.05,-20.28,;43.51,-20.27,;45.63,-18.18,;46.96,-18.96,;48.29,-18.19,;49.51,-17.49,;49.8,-18.76,;48.56,-16.6,;36.29,-18.93,;34.96,-18.17,;34.95,-16.63,;36.29,-15.86,;33.62,-18.94,)| Show InChI InChI=1S/C22H27F3N6O4S/c1-34-16-6-4-3-5-15(16)18-17-19(30-29-18)27-21(28-20(17)35-2)26-13-7-9-14(10-8-13)31-36(32,33)12-11-22(23,24)25/h3-6,13-14,31H,7-12H2,1-2H3,(H2,26,27,28,29,30)/t13-,14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				J Med Chem 62: 1180-1202 (2019) Article DOI: 10.1021/acs.jmedchem.8b01218 BindingDB Entry DOI: 10.7270/Q2ZC867R
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