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 = 'BDBM50533686'   

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))	BDBM50533686 (CHEMBL4470355) Show SMILES Cc1cncc(Nc2cc(NC3CCN(CC3)c3ccc(cn3)C#N)c(cn2)C(N)=O)n1 Show InChI InChI=1S/C22H23N9O/c1-14-10-25-13-20(28-14)30-19-8-18(17(12-26-19)22(24)32)29-16-4-6-31(7-5-16)21-3-2-15(9-23)11-27-21/h2-3,8,10-13,16H,4-7H2,1H3,(H2,24,32)(H2,26,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO-K1 cells after 10 mins by Rb efflux assay				Bioorg Med Chem 24: 4711-4722 (2016) Article DOI: 10.1016/j.bmc.2016.08.007 BindingDB Entry DOI: 10.7270/Q2RJ4NZW
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