BDBM50318056 4-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)butyl nitrate::CHEMBL471418

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

InChI Key: InChIKey=PQUYKJOHGKFMRH-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 = 50318056   

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))	BDBM50318056 (4-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)but...) Show SMILES Oc1cc(OCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C19H17NO7/c21-15-10-14(25-8-4-5-9-26-20(23)24)11-18-19(15)16(22)12-17(27-18)13-6-2-1-3-7-13/h1-3,6-7,10-12,21H,4-5,8-9H2	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	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