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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Voltage-gated sodium channel subunit alpha Nav1.8' and Ligand = 'BDBM50329217'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50329217
PNG
(CHEMBL1271106 | N-(2-Methylbenzyl)-6-(4-trifluorom...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(n2)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C20H16F3N3O2/c1-12-7-13(2)9-15(8-12)25-19(27)18-11-24-10-17(26-18)14-3-5-16(6-4-14)28-20(21,22)23/h3-11H,1-2H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of tetrodotoxin-resistant NaV1.8 in rat dorsal root ganglion neurons at holding potential -100 mV by whole-cell patch clamp electrophysiol...


Bioorg Med Chem 18: 7816-25 (2010)


Article DOI: 10.1016/j.bmc.2010.09.057
BindingDB Entry DOI: 10.7270/Q24B31KG
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50329217
PNG
(CHEMBL1271106 | N-(2-Methylbenzyl)-6-(4-trifluorom...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(n2)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C20H16F3N3O2/c1-12-7-13(2)9-15(8-12)25-19(27)18-11-24-10-17(26-18)14-3-5-16(6-4-14)28-20(21,22)23/h3-11H,1-2H3,(H,25,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of tetrodotoxin-resistant NaV1.8 in rat DRG neuron by electrophysiology


Bioorg Med Chem Lett 20: 6812-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.121
BindingDB Entry DOI: 10.7270/Q2F76CS6
More data for this
Ligand-Target Pair