Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-sensitive inward rectifier potassium channel 1' and Ligand = 'BDBM50116830'   

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
ATP-sensitive inward rectifier potassium channel 1 (Homo sapiens (Human))	BDBM50116830 (CHEMBL3612795) Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc4C(=O)OCc4c3)CC2)cc1 Show InChI InChI=1S/C22H25N3O4/c26-22-21-6-3-18(15-19(21)16-29-22)8-10-24-13-11-23(12-14-24)9-7-17-1-4-20(5-2-17)25(27)28/h1-6,15H,7-14,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of ROMK (unknown origin) expressed in HEK293 cells by thallium flux assay				ACS Med Chem Lett 6: 747-52 (2015) Article DOI: 10.1021/ml500440u BindingDB Entry DOI: 10.7270/Q27H1MCQ
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