BDBM50104900 16-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-hexadecanoic acid::CHEMBL113744

SMILES: OC(=O)CCCCCCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

InChI Key: InChIKey=ZAXBXXAMAVSEBX-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 = 50104900   

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))	BDBM50104900 (16-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]...) Show SMILES OC(=O)CCCCCCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C31H40O6/c32-25-17-15-24(16-18-25)28-23-37-29-22-26(19-20-27(29)31(28)35)36-21-13-11-9-7-5-3-1-2-4-6-8-10-12-14-30(33)34/h15-20,22-23,32H,1-14,21H2,(H,33,34)	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	>9.00E+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