BDBM50437465 CHEMBL2409467

SMILES: Oc1ccc(cc1O)-c1cc([O-])c2c(cc(OCCCCO[N+]([O-])=O)cc2=[OH+])o1

InChI Key: InChIKey=RIUJNBBQJHRYHA-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 = 50437465   

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))	BDBM50437465 (CHEMBL2409467) Show SMILES Oc1ccc(cc1O)-c1cc([O-])c2c(cc(OCCCCO[N+]([O-])=O)cc2=[OH+])o1 Show InChI InChI=1S/C19H17NO9/c21-13-4-3-11(7-14(13)22)17-10-16(24)19-15(23)8-12(9-18(19)29-17)27-5-1-2-6-28-20(25)26/h3-4,7-10,21-22,24H,1-2,5-6H2	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	472	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