BDBM50336355 CHEMBL1668048::O5-acetyl-O7-Chrysin acetic acid(4-phenyl-1,2,5-oxadiazole-2-oxide-3-)methyl ester

SMILES: CC(=O)Oc1cc(OCC(=O)OCc2c(no[n+]2[O-])-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1

InChI Key: InChIKey=YBBFTRDITKQNEC-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 = 50336355   

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))	BDBM50336355 (CHEMBL1668048 | O5-acetyl-O7-Chrysin acetic acid(4...) Show SMILES CC(=O)Oc1cc(OCC(=O)OCc2c(no[n+]2[O-])-c2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C28H20N2O9/c1-17(31)37-24-12-20(13-25-27(24)22(32)14-23(38-25)18-8-4-2-5-9-18)35-16-26(33)36-15-21-28(29-39-30(21)34)19-10-6-3-7-11-19/h2-14H,15-16H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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
					More data for this Ligand-Target Pair