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BDBM50063066 CHEMBL3398417

SMILES: Cc1nn(c(Cl)c1C(=O)NC(CC(O)=O)c1ccc(Cl)c(Cl)c1)-c1ccccc1

InChI Key: InChIKey=BAIIMTYXDPYJJW-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50063066   
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))
BDBM50063066
PNG
(CHEMBL3398417)
Show SMILES Cc1nn(c(Cl)c1C(=O)NC(CC(O)=O)c1ccc(Cl)c(Cl)c1)-c1ccccc1
Show InChI InChI=1/C20H16Cl3N3O3/c1-11-18(19(23)26(25-11)13-5-3-2-4-6-13)20(29)24-16(10-17(27)28)12-7-8-14(21)15(22)9-12/h2-9,16H,10H2,1H3,(H,24,29)(H,27,28)
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.07E+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