BDBM50437469 CHEMBL2409351

SMILES: Oc1cc(OCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccc2OCCOc2c1

InChI Key: InChIKey=RLWABUVFCFPHBN-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 = 50437469   

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))	BDBM50437469 (CHEMBL2409351) Show SMILES Oc1cc(OCCCCO[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C21H19NO9/c23-15-10-14(27-5-1-2-6-30-22(25)26)11-20-21(15)16(24)12-18(31-20)13-3-4-17-19(9-13)29-8-7-28-17/h3-4,9-12,23H,1-2,5-8H2	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	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