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 = 'BDBM50539064'   

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))	BDBM50539064 (CHEMBL4641396) Show SMILES COc1cc(cc(SC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C31H33FN4O4S/c1-36(2)13-12-31(37,21-16-26(39-4)35-27(17-21)41-6)28(22-8-7-9-25(38-3)29(22)32)23-15-20-14-19(18-33)10-11-24(20)34-30(23)40-5/h7-11,14-17,28,37H,12-13H2,1-6H3/t28-,31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115213 BindingDB Entry DOI: 10.7270/Q24X5CB3
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