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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinal dehydrogenase 2' and Ligand = 'BDBM50236908'   
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
Retinal dehydrogenase 2


(Homo sapiens (Human))
BDBM50236908
PNG
(CHEMBL1562069)
Show SMILES CCCc1cc(=O)oc2cc3oc(C)c(C)c3cc12
Show InChI InChI=1S/C16H16O3/c1-4-5-11-6-16(17)19-15-8-14-12(7-13(11)15)9(2)10(3)18-14/h6-8H,4-5H2,1-3H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 69n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human ALDH1A2 expressed in Escherichia coli BL21(DE3) assessed as reduction in dehydrogenase activity by measur...


J Med Chem 60: 2439-2455 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01825
BindingDB Entry DOI: 10.7270/Q2M32Z11
More data for this
Ligand-Target Pair