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Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase, dimeric NADP-preferring' and Ligand = 'BDBM50448797'   
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, dimeric NADP-preferring


(Homo sapiens (Human))		BDBM50448797
PNG
(CHEMBL3128213)
Show SMILES Fc1ccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)cc1
Show InChI InChI=1S/C20H20FN3O2/c21-16-7-5-15(6-8-16)13-22-9-11-23(12-10-22)14-24-18-4-2-1-3-17(18)19(25)20(24)26/h1-8H,9-14H2
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Similars
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ...

J Med Chem 57: 714-22 (2014)


Article DOI: 10.1021/jm401377v
BindingDB Entry DOI: 10.7270/Q21V5GF2
More data for this
Ligand-Target Pair