BDBM50104886 12-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)dodecanoic acid::12-[3-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-dodecanoic acid::CHEMBL262662

SMILES: OC(=O)CCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O

InChI Key: InChIKey=NWRLWBHHENCLKZ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104886   

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))	BDBM50104886 (12-(3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)d...) Show SMILES OC(=O)CCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O Show InChI InChI=1S/C27H32O6/c28-21-13-11-20(12-14-21)24-19-33-25-18-22(15-16-23(25)27(24)31)32-17-9-7-5-3-1-2-4-6-8-10-26(29)30/h11-16,18-19,28H,1-10,17H2,(H,29,30)	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	130	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