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Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase family 1 member A3' and Ligand = 'BDBM50538690'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Aldehyde dehydrogenase family 1 member A3


(Homo sapiens (Human))		BDBM50538690
PNG
(CHEMBL4645309)
Show SMILES COc1cccc(c1)-c1cn2cccc(-c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C20H15ClN2O/c1-24-17-5-2-4-15(12-17)19-13-23-11-3-6-18(20(23)22-19)14-7-9-16(21)10-8-14/h2-13H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALDH1A3 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to control

ACS Med Chem Lett 11: 963-970 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00686
BindingDB Entry DOI: 10.7270/Q2N301G7
More data for this
Ligand-Target Pair