BDBM50104899 2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-hexanoic acid::CHEMBL324628

SMILES: CCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(O)=O

InChI Key: InChIKey=AYWCVFIRUJOPDQ-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 = 50104899   

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))	BDBM50104899 (2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...) Show SMILES CCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(O)=O Show InChI InChI=1S/C21H20O6/c1-2-3-4-18(21(24)25)27-15-9-10-16-19(11-15)26-12-17(20(16)23)13-5-7-14(22)8-6-13/h5-12,18,22H,2-4H2,1H3,(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	1.00E+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