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Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase family 1 member A3' and Ligand = 'BDBM50459586'   
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))		BDBM50459586
PNG
(CHEMBL4217294)
Show SMILES Fc1cccc(CSc2nc3[nH]ncc3c(=O)n2-c2ccccc2)c1
Show InChI InChI=1S/C18H13FN4OS/c19-13-6-4-5-12(9-13)11-25-18-21-16-15(10-20-22-16)17(24)23(18)14-7-2-1-3-8-14/h1-10H,11H2,(H,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 390n/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