BDBM50104892 8-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)octanoic acid::8-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-octanoic acid::CHEMBL114397

SMILES: OC(=O)CCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

InChI Key: InChIKey=JTBRNLMYWCCGGL-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 = 50104892   

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))	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 UniProtKB/TrEMBL 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