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 = 'BDBM50517287'   

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))	BDBM50517287 (CHEMBL4563818) Show SMILES C[C@H]1CN(CCO1)c1n[nH]c2nc(N[C@H]3CC[C@@H](CC3)NS(=O)(=O)CCC(F)(F)F)ncc12 |r,wU:14.14,1.0,wD:17.21,(8.54,-1.78,;7.51,-2.93,;7.99,-4.38,;6.97,-5.51,;5.47,-5.22,;4.99,-3.76,;6.01,-2.61,;7.45,-6.97,;6.55,-8.22,;7.46,-9.47,;8.93,-8.99,;10.27,-9.76,;11.6,-8.99,;12.94,-9.75,;14.27,-8.98,;14.25,-7.45,;15.59,-6.68,;16.93,-7.45,;16.92,-8.99,;15.59,-9.76,;18.26,-6.68,;19.59,-7.45,;20.35,-8.78,;18.82,-8.78,;20.93,-6.69,;22.26,-7.46,;23.6,-6.7,;24.82,-5.99,;25.11,-7.27,;23.86,-5.1,;11.6,-7.44,;10.26,-6.67,;8.93,-7.44,)| Show InChI InChI=1S/C19H28F3N7O3S/c1-12-11-29(7-8-32-12)17-15-10-23-18(25-16(15)26-27-17)24-13-2-4-14(5-3-13)28-33(30,31)9-6-19(20,21)22/h10,12-14,28H,2-9,11H2,1H3,(H2,23,24,25,26,27)/t12-,13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+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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