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 = 'BDBM50468127'   

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))	BDBM50468127 (CHEMBL4288417) Show SMILES CCOc1cc(CN2CCC(CC2)c2ncc([nH]2)-c2ccc(F)cc2)cc(OCC)c1-c1ccc(F)cc1 Show InChI InChI=1S/C31H33F2N3O2/c1-3-37-28-17-21(18-29(38-4-2)30(28)23-7-11-26(33)12-8-23)20-36-15-13-24(14-16-36)31-34-19-27(35-31)22-5-9-25(32)10-6-22/h5-12,17-19,24H,3-4,13-16,20H2,1-2H3,(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of MK-499 binding to human ERG				ACS Med Chem Lett 9: 1082-1087 (2018) Article DOI: 10.1021/acsmedchemlett.8b00305 BindingDB Entry DOI: 10.7270/Q2ZP48TS
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