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Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase 3A1 (ALDH3A1)' and Ligand = 'BDBM223467'   
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 3A1 (ALDH3A1)


(Homo sapiens (Human))
BDBM223467
PNG
(US9320722, CD20)
Show SMILES Cc1cccc(c1)C(=O)CN1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C19H20Cl2N2O3S/c1-14-3-2-4-15(11-14)18(24)13-22-7-9-23(10-8-22)27(25,26)19-12-16(20)5-6-17(19)21/h2-6,11-12H,7-10,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.10E+4n/an/an/an/a7.5n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo...


US Patent US9320722 (2016)


BindingDB Entry DOI: 10.7270/Q2V69HGB
More data for this
Ligand-Target Pair