BDBM50318059 7-(4-(nitrooxy)butoxy)-4-oxo-2-phenyl-4H-chromen-5-yl acetate::CHEMBL1097729

SMILES: CC(=O)Oc1cc(OCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1

InChI Key: InChIKey=MEMSOEUINYSFOE-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 = 50318059   

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
Aldose reductase (ALR2) (Bos taurus (Cattle))	BDBM50318059 (7-(4-(nitrooxy)butoxy)-4-oxo-2-phenyl-4H-chromen-5...) Show SMILES CC(=O)Oc1cc(OCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C21H19NO8/c1-14(23)29-19-11-16(27-9-5-6-10-28-22(25)26)12-20-21(19)17(24)13-18(30-20)15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10H2,1H3	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of aldose reductase from calf lense by AR assay				Bioorg Med Chem 18: 3020-5 (2010) Article DOI: 10.1016/j.bmc.2010.03.056 BindingDB Entry DOI: 10.7270/Q2W66KX5
					More data for this Ligand-Target Pair