BDBM50104884 CHEMBL326803::[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-acetic acid ethyl ester

SMILES: CCOC(=O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

InChI Key: InChIKey=ALMYFTPTDJRRLA-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 = 50104884   

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
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50104884 (CHEMBL326803 | [3-(4-Hydroxy-phenyl)-4-oxo-4H-chro...) Show SMILES CCOC(=O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C19H16O6/c1-2-23-18(21)11-24-14-7-8-15-17(9-14)25-10-16(19(15)22)12-3-5-13(20)6-4-12/h3-10,20H,2,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of hamster liver aldehyde dehydrogenase ALDH-2				J Med Chem 44: 3320-8 (2001) BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
					More data for this Ligand-Target Pair