BDBM50318054 (5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)methyl 7-(nitrooxy)heptanoate::CHEMBL1095081

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

InChI Key: InChIKey=JNCACZFBPZGMEY-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 = 50318054   

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 (Bos taurus (Cattle))	BDBM50318054 ((5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)methy...) Show SMILES Oc1cc(OCOC(=O)CCCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C23H23NO9/c25-18-12-17(30-15-31-22(27)10-6-1-2-7-11-32-24(28)29)13-21-23(18)19(26)14-20(33-21)16-8-4-3-5-9-16/h3-5,8-9,12-14,25H,1-2,6-7,10-11,15H2	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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