BDBM50104901 6-[2-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-hexanoic acid::CHEMBL110038

SMILES: OC(=O)CCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(O)cc1

InChI Key: InChIKey=DEUQPDMPHMLRFR-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 = 50104901   

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))	BDBM50104901 (6-[2-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...) Show SMILES OC(=O)CCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(O)cc1 Show InChI InChI=1S/C21H20O6/c22-15-7-5-14(6-8-15)19-13-18(23)17-10-9-16(12-20(17)27-19)26-11-3-1-2-4-21(24)25/h5-10,12-13,22H,1-4,11H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	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