BDBM50336360 3-((3-((2-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)acetoxy)methyl)phenoxy)methyl)-4-phenyl-1,2,5-oxadiazole 2-oxide::CHEMBL1668044

SMILES: [O-]c1cc(oc2cc(OCC(=O)OCc3cccc(OCc4c(no[n+]4[O-])-c4ccccc4)c3)cc(=[OH+])c12)-c1ccccc1

InChI Key: InChIKey=INATZDHEXGVLLE-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 = 50336360   

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 (AR) (Homo sapiens (Human))	BDBM50336360 (3-((3-((2-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-y...) Show SMILES [O-]c1cc(oc2cc(OCC(=O)OCc3cccc(OCc4c(no[n+]4[O-])-c4ccccc4)c3)cc(=[OH+])c12)-c1ccccc1 Show InChI InChI=1S/C33H24N2O9/c36-27-15-25(16-30-32(27)28(37)17-29(43-30)22-9-3-1-4-10-22)41-20-31(38)42-18-21-8-7-13-24(14-21)40-19-26-33(34-44-35(26)39)23-11-5-2-6-12-23/h1-17,37H,18-20H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of aldose reductase by spectrophotometric analysis				Bioorg Med Chem Lett 21: 1222-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.077 BindingDB Entry DOI: 10.7270/Q2W959GP
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