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BDBM50178868 CHEMBL203993::trans-N-(3,5-dichlorobenzyl)-2-(1-hydroxy-3-(4-(trifluoromethoxy)phenyl)propyl)cyclopentanecarboxamide

SMILES: OC(CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=FASHIQZZXOUNPN-OSBQEZSISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178868   
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))
BDBM50178868
PNG
(CHEMBL203993 | trans-N-(3,5-dichlorobenzyl)-2-(1-h...)
Show SMILES OC(CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H24Cl2F3NO3/c24-16-10-15(11-17(25)12-16)13-29-22(31)20-3-1-2-19(20)21(30)9-6-14-4-7-18(8-5-14)32-23(26,27)28/h4-5,7-8,10-12,19-21,30H,1-3,6,9,13H2,(H,29,31)/t19-,20-,21?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
870n/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