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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome CYP26A1' and Ligand = 'BDBM50063076'   
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
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50063076
PNG
(CHEMBL3398420)
Show SMILES Cc1nn(c(Cl)c1C(=O)NC(CC(O)=O)c1cccc(Br)c1)-c1ccccc1
Show InChI InChI=1/C20H17BrClN3O3/c1-12-18(19(22)25(24-12)15-8-3-2-4-9-15)20(28)23-16(11-17(26)27)13-6-5-7-14(21)10-13/h2-10,16H,11H2,1H3,(H,23,28)(H,26,27)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.87E+3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of CYP26A1 in ATRA-induced human HL60 cell microsomes incubated for 30 mins using ATRA and NADPH by HPLC method


Bioorg Med Chem 23: 1356-65 (2015)


Article DOI: 10.1016/j.bmc.2014.11.036
BindingDB Entry DOI: 10.7270/Q2416ZQG
More data for this
Ligand-Target Pair