BDBM50104888 5-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)pentanoic acid::5-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-pentanoic acid::CHEMBL113586

SMILES: OC(=O)CCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

InChI Key: InChIKey=VHNSXDCQMLZOCL-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 = 50104888   

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))	BDBM50104888 (5-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)pe...) Show SMILES OC(=O)CCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C20H18O6/c21-14-6-4-13(5-7-14)17-12-26-18-11-15(8-9-16(18)20(17)24)25-10-2-1-3-19(22)23/h4-9,11-12,21H,1-3,10H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	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