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 = 'BDBM50442598'   

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))	BDBM50442598 (CHEMBL2441439) Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)NCc3c2)CC1 Show InChI InChI=1S/C23H25N7O2/c31-22(14-17-1-4-20(5-2-17)30-16-25-26-27-30)29-11-9-28(10-12-29)8-7-18-3-6-21-19(13-18)15-24-23(21)32/h1-6,13,16H,7-12,14-15H2,(H,24,32)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.20E+4	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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