BDBM50104890 2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-propionic acid ethyl ester::CHEMBL326236

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

InChI Key: InChIKey=FIBZTJYDEQEKEI-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 = 50104890   

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))	BDBM50104890 (2-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...) Show SMILES CCOC(=O)C(C)Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C20H18O6/c1-3-24-20(23)12(2)26-15-8-9-16-18(10-15)25-11-17(19(16)22)13-4-6-14(21)7-5-13/h4-12,21H,3H2,1-2H3	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	320	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