BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase family 1 member A3' and Ligand = 'BDBM50459603'   
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))		BDBM50459603
PNG
(CHEMBL4213331)
Show SMILES Cn1ncc2c1nc(SCc1cccc(F)c1)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C19H15FN4OS/c1-23-17-16(11-21-23)18(25)24(15-8-3-2-4-9-15)19(22-17)26-12-13-6-5-7-14(20)10-13/h2-11H,12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ALDH1A3 assessed as NADH formation using propionaldehyde as substrate by spectrophotometery

Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113060
BindingDB Entry DOI: 10.7270/Q2N58R5M
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase family 1 member A3


(Homo sapiens (Human))		BDBM50459603
PNG
(CHEMBL4213331)
Show SMILES Cn1ncc2c1nc(SCc1cccc(F)c1)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C19H15FN4OS/c1-23-17-16(11-21-23)18(25)24(15-8-3-2-4-9-15)19(22-17)26-12-13-6-5-7-14(20)10-13/h2-11H,12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/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