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 = 'BDBM50116821'   

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))	BDBM50116821 (CHEMBL3612804) Show SMILES COc1cc(ccc1C#N)C(C)(C)CN1CCN(CCc2ccc3C(=O)OCc3c2C)CC1 Show InChI InChI=1S/C27H33N3O3/c1-19-20(6-8-23-24(19)17-33-26(23)31)9-10-29-11-13-30(14-12-29)18-27(2,3)22-7-5-21(16-28)25(15-22)32-4/h5-8,15H,9-14,17-18H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	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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