BDBM50442621 CHEMBL2441415

SMILES: O=C(Cc1ccc(cc1C1CC1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1

InChI Key: InChIKey=VHNOBVZYSXQXNE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50442621   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50442621 (CHEMBL2441415) Show SMILES O=C(Cc1ccc(cc1C1CC1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1 Show InChI InChI=1S/C26H28N6O3/c33-25(14-20-4-5-22(32-17-27-28-29-32)15-24(20)19-2-3-19)31-11-9-30(10-12-31)8-7-18-1-6-23-21(13-18)16-35-26(23)34/h1,4-6,13,15,17,19H,2-3,7-12,14,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	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
					More data for this Ligand-Target Pair