BDBM50104893 2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-hexanoic acid ethyl ester::CHEMBL112259

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

InChI Key: InChIKey=NMRFIHVJGSKGIV-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 = 50104893   

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))	BDBM50104893 (2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...) Show SMILES CCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(=O)OCC Show InChI InChI=1S/C23H24O6/c1-3-5-6-20(23(26)27-4-2)29-17-11-12-18-21(13-17)28-14-19(22(18)25)15-7-9-16(24)10-8-15/h7-14,20,24H,3-6H2,1-2H3	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	4.50E+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