Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase, mitochondrial' and Ligand = 'BDBM50093528'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM50093528 (7-(2,3-Dihydroxy-propoxy)-3-(4-hydroxy-phenyl)-chr...) Show SMILES OCC(O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C18H16O6/c19-8-13(21)9-23-14-5-6-15-17(7-14)24-10-16(18(15)22)11-1-3-12(20)4-2-11/h1-7,10,13,19-21H,8-9H2	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 Compound was evaluated for the inhibition of Hamster Liver mitochondrial ALDH-2				J Med Chem 43: 4169-79 (2000) BindingDB Entry DOI: 10.7270/Q2GX49T8
					More data for this Ligand-Target Pair