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BDBM50178858 1-(trans-2-(4-(trifluoromethoxy)phenethoxy)cyclopentyl)-3-phenylpropan-1-ol::CHEMBL205720

SMILES: OC(CCc1ccccc1)[C@@H]1CCC[C@H]1OCCc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=AATPBSGADBLKLD-JAFNVKOHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178858   
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))
BDBM50178858
PNG
(1-(trans-2-(4-(trifluoromethoxy)phenethoxy)cyclope...)
Show SMILES OC(CCc1ccccc1)[C@@H]1CCC[C@H]1OCCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H27F3O3/c24-23(25,26)29-19-12-9-18(10-13-19)15-16-28-22-8-4-7-20(22)21(27)14-11-17-5-2-1-3-6-17/h1-3,5-6,9-10,12-13,20-22,27H,4,7-8,11,14-16H2/t20-,21?,22+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.00E+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