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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome CYP26A1' and Ligand = 'BDBM50063086'   
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))
BDBM50063086
PNG
(CHEMBL3398414)
Show SMILES CCCn1c(C)c(cc1C(C)(C)C)C(=O)NC(CC(O)=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1/C26H38N2O3/c1-9-14-28-17(2)20(15-22(28)26(6,7)8)24(31)27-21(16-23(29)30)18-10-12-19(13-11-18)25(3,4)5/h10-13,15,21H,9,14,16H2,1-8H3,(H,27,31)(H,29,30)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.19E+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