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BDBM50063070 CHEMBL3398408

SMILES: Cc1cc(C(=O)NC(CC(O)=O)c2ccc(C)cc2)c(C)o1

InChI Key: InChIKey=PUXSXDUFGWKOIY-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50063070   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50063070
PNG
(CHEMBL3398408)
Show SMILES Cc1cc(C(=O)NC(CC(O)=O)c2ccc(C)cc2)c(C)o1
Show InChI InChI=1/C17H19NO4/c1-10-4-6-13(7-5-10)15(9-16(19)20)18-17(21)14-8-11(2)22-12(14)3/h4-8,15H,9H2,1-3H3,(H,18,21)(H,19,20)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.09E+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