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BDBM50063085 CHEMBL3398413

SMILES: CCCn1c(C)c(cc1C(C)(C)C)C(=O)NC(CC(O)=O)c1ccccc1Br

InChI Key: InChIKey=MSYNTHZKJVOLFH-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50063085   
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))
BDBM50063085
PNG
(CHEMBL3398413)
Show SMILES CCCn1c(C)c(cc1C(C)(C)C)C(=O)NC(CC(O)=O)c1ccccc1Br
Show InChI InChI=1/C22H29BrN2O3/c1-6-11-25-14(2)16(12-19(25)22(3,4)5)21(28)24-18(13-20(26)27)15-9-7-8-10-17(15)23/h7-10,12,18H,6,11,13H2,1-5H3,(H,24,28)(H,26,27)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.13E+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