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Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase family 1 member A3' and Ligand = 'BDBM50459583'   
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))		BDBM50459583
PNG
(CHEMBL4205427)
Show SMILES Cn1ncc2c1nc(SCc1cccc(F)c1)n(-c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C19H14ClFN4OS/c1-24-17-16(10-22-24)18(26)25(15-7-5-13(20)6-8-15)19(23-17)27-11-12-3-2-4-14(21)9-12/h2-10H,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 750n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ALDH1A3 assessed as reduction in of NAD(P)H formation incubated for 2 mins by spectrophotometry

J Med Chem 61: 8754-8773 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00930
BindingDB Entry DOI: 10.7270/Q2V127F6
More data for this
Ligand-Target Pair