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BDBM50329215 CHEMBL1271206::N-(3,5-dimethylphenyl)-5-(4-(trifluoromethoxy)phenyl)nicotinamide

SMILES: Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(OC(F)(F)F)cc2)c1

InChI Key: InChIKey=QLGKRCSGYMDFCH-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50329215   
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
Voltage-gated sodium channel subunit alpha Nav1.8


(Rattus norvegicus (Rat))
BDBM50329215
PNG
(CHEMBL1271206 | N-(3,5-dimethylphenyl)-5-(4-(trifl...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C21H17F3N2O2/c1-13-7-14(2)9-18(8-13)26-20(27)17-10-16(11-25-12-17)15-3-5-19(6-4-15)28-21(22,23)24/h3-12H,1-2H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/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
Sodium channel protein type X alpha subunit


(Mus musculus)
BDBM50329215
PNG
(CHEMBL1271206 | N-(3,5-dimethylphenyl)-5-(4-(trifl...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C21H17F3N2O2/c1-13-7-14(2)9-18(8-13)26-20(27)17-10-16(11-25-12-17)15-3-5-19(6-4-15)28-21(22,23)24/h3-12H,1-2H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 530n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.8 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
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM50329215
PNG
(CHEMBL1271206 | N-(3,5-dimethylphenyl)-5-(4-(trifl...)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(c2)-c2ccc(OC(F)(F)F)cc2)c1
Show InChI InChI=1S/C21H17F3N2O2/c1-13-7-14(2)9-18(8-13)26-20(27)17-10-16(11-25-12-17)15-3-5-19(6-4-15)28-21(22,23)24/h3-12H,1-2H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.8 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