BDBM50437468 CHEMBL2409465

SMILES: Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(OCCO[N+]([O-])=O)cc2o1

InChI Key: InChIKey=SJIYXABFNNPEOV-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 = 50437468   

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))	BDBM50437468 (CHEMBL2409465) Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(OCCO[N+]([O-])=O)cc2o1 Show InChI InChI=1S/C17H13NO9/c19-11-2-1-9(5-12(11)20)15-8-14(22)17-13(21)6-10(7-16(17)27-15)25-3-4-26-18(23)24/h1-2,5-8,19-21H,3-4H2	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Xiangtan University Curated by ChEMBL					Assay Description Inhibition of bovine lens aldose reductase using DL-glyceraldehyde as substrate assessed as NADPH oxidation measured for 10 mins by spectrophotometri...				Bioorg Med Chem 21: 4301-10 (2013) Article DOI: 10.1016/j.bmc.2013.04.066 BindingDB Entry DOI: 10.7270/Q2BZ67GT
					More data for this Ligand-Target Pair