BDBM50437456 CHEMBL2409463

SMILES: [O-]c1cc(oc2cc(OCC(=O)OCCCCCCO[N+]([O-])=O)cc(=[OH+])c12)-c1ccc2OCCOc2c1

InChI Key: InChIKey=CSPJAZKXVBLJIP-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 = 50437456   

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))	BDBM50437456 (CHEMBL2409463) Show SMILES [O-]c1cc(oc2cc(OCC(=O)OCCCCCCO[N+]([O-])=O)cc(=[OH+])c12)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C25H25NO11/c27-18-12-17(35-15-24(29)34-7-3-1-2-4-8-36-26(30)31)13-23-25(18)19(28)14-21(37-23)16-5-6-20-22(11-16)33-10-9-32-20/h5-6,11-14,28H,1-4,7-10,15H2	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	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