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SMILES: OC(CCc1ccccc1)[C@@H]1CCC[C@H]1COCc1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=UNWUNGTVSHEQRF-UTCGOKLKSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178856   
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))		BDBM50178856
PNG
(1-(trans-2-((3,5-dichlorobenzyloxy)methyl)cyclopen...)
Show SMILES OC(CCc1ccccc1)[C@@H]1CCC[C@H]1COCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C22H26Cl2O2/c23-19-11-17(12-20(24)13-19)14-26-15-18-7-4-8-21(18)22(25)10-9-16-5-2-1-3-6-16/h1-3,5-6,11-13,18,21-22,25H,4,7-10,14-15H2/t18-,21+,22?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 1.11E+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