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BDBM50104901 6-[2-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-hexanoic acid::CHEMBL110038

SMILES: OC(=O)CCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(O)cc1

InChI Key: InChIKey=DEUQPDMPHMLRFR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104901   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Aldehyde dehydrogenase (ALDH2)


(Homo sapiens (Human))
BDBM50104901
PNG
(6-[2-(4-Hydroxy-phenyl)-4-oxo-4H-chromen-7-yloxy]-...)
Show SMILES OC(=O)CCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C21H20O6/c22-15-7-5-14(6-8-15)19-13-18(23)17-10-9-16(12-20(17)27-19)26-11-3-1-2-4-21(24)25/h5-10,12-13,22H,1-4,11H2,(H,24,25)
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MMDB

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Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of hamster liver aldehyde dehydrogenase ALDH-2


J Med Chem 44: 3320-8 (2001)


Article DOI: 10.1021/jm0101390
BindingDB Entry DOI: 10.7270/Q2CC0ZZZ
More data for this
Ligand-Target Pair