Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase, mitochondrial' and Ligand = 'BDBM50104892'   

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))	BDBM50104892 (8-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)oc...) Show SMILES OC(=O)CCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C23H24O6/c24-17-9-7-16(8-10-17)20-15-29-21-14-18(11-12-19(21)23(20)27)28-13-5-3-1-2-4-6-22(25)26/h7-12,14-15,24H,1-6,13H2,(H,25,26)	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	40	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