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 = 'BDBM50442607'   

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))	BDBM50442607 (CHEMBL2441429) Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(cc3)-n3cnnn3)CC2)cc1 Show InChI InChI=1S/C21H25N7O2/c29-28(30)21-7-3-19(4-8-21)10-12-26-15-13-25(14-16-26)11-9-18-1-5-20(6-2-18)27-17-22-23-24-27/h1-8,17H,9-16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human ROMK channel-mediated 86Rb+ flux expressed in CHO cells after 35 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 5829-32 (2013) Article DOI: 10.1016/j.bmcl.2013.08.104 BindingDB Entry DOI: 10.7270/Q28K7BHG
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