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BDBM50178860 3,5-dichloro-N-((trans-2-(1-hydroxy-3-phenylpropyl)cyclopentyl)methyl)benzenesulfonamide::CHEMBL202629

SMILES: OC(CCc1ccccc1)[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=UJXFAXMESIFTQX-ICTUGDKOSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178860   
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))
BDBM50178860
PNG
(3,5-dichloro-N-((trans-2-(1-hydroxy-3-phenylpropyl...)
Show SMILES OC(CCc1ccccc1)[C@@H]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C21H25Cl2NO3S/c22-17-11-18(23)13-19(12-17)28(26,27)24-14-16-7-4-8-20(16)21(25)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-13,16,20-21,24-25H,4,7-10,14H2/t16-,20+,21?/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