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BDBM50178870 CHEMBL203995::trans-N1-(4-(trifluoromethoxy)benzyl)-N2-benzyl-N2-methylcyclopentane-1,2-dicarboxamide

SMILES: CN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=LRLSGOVHRYWCKO-WOJBJXKFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178870   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50178870
PNG
(CHEMBL203995 | trans-N1-(4-(trifluoromethoxy)benzy...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H25F3N2O3/c1-28(15-17-6-3-2-4-7-17)22(30)20-9-5-8-19(20)21(29)27-14-16-10-12-18(13-11-16)31-23(24,25)26/h2-4,6-7,10-13,19-20H,5,8-9,14-15H2,1H3,(H,27,29)/t19-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.49E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of peripheral nerve sodium channel NaV1.7


Bioorg Med Chem Lett 16: 1358-61 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.051
BindingDB Entry DOI: 10.7270/Q2FX791S
More data for this
Ligand-Target Pair