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Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase, dimeric NADP-preferring' and Ligand = 'BDBM50448799'   
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))		BDBM50448799
PNG
(CHEMBL3128204)
Show SMILES O=C1N(CN2CCN(Cc3ccccc3)CC2)c2ccccc2C1=O
Show InChI InChI=1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)23(20(19)25)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-9H,10-15H2
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 930n/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