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BDBM50325764 4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-carboxamide::CHEMBL1224197

SMILES: NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F

InChI Key: InChIKey=UIASTQRXRWRHSW-UHFFFAOYSA-N

Data: 2 KI  5 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 7 hits for monomerid = 50325764   
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))
BDBM50325764
PNG
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)
Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)
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PubMed
15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav 1.7 channel by electrophysiology


Bioorg Med Chem Lett 20: 5480-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.080
BindingDB Entry DOI: 10.7270/Q2PV6KJX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50325764
PNG
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)
Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)
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230n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 by VIPR assay


Bioorg Med Chem Lett 20: 7479-82 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50325764
PNG
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)
Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by electrophysiology assay


Bioorg Med Chem Lett 20: 5536-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.064
BindingDB Entry DOI: 10.7270/Q2FB535G
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50325764
PNG
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)
Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)
PDB

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n/an/a 4.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 5536-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.064
BindingDB Entry DOI: 10.7270/Q2FB535G
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50325764
PNG
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)
Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 5536-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.064
BindingDB Entry DOI: 10.7270/Q2FB535G
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50325764
PNG
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)
Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 20: 5536-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.064
BindingDB Entry DOI: 10.7270/Q2FB535G
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50325764
PNG
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)
Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 by voltage ion probe reader based FRET assay


Bioorg Med Chem Lett 20: 5536-40 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.064
BindingDB Entry DOI: 10.7270/Q2FB535G
More data for this
Ligand-Target Pair