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BDBM50325763 1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-5-methyl-1H-pyrazole-3-carboxamide::CHEMBL1224195

SMILES: Cc1cc(nn1-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F)C(N)=O

InChI Key: InChIKey=KJKVVLUSAUZZBG-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50325763   
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))
BDBM50325763
PNG
(1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-5-meth...)
Show SMILES Cc1cc(nn1-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C19H13F6N3O/c1-10-7-16(17(26)29)27-28(10)13-4-2-3-11(8-13)14-9-12(18(20,21)22)5-6-15(14)19(23,24)25/h2-9H,1H3,(H2,26,29)
PDB

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PC cid
PC sid
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Article
PubMed
n/an/a 272n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Nav 1.7 channel by voltage-ion-probe-reader


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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50325763
PNG
(1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-5-meth...)
Show SMILES Cc1cc(nn1-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C19H13F6N3O/c1-10-7-16(17(26)29)27-28(10)13-4-2-3-11(8-13)14-9-12(18(20,21)22)5-6-15(14)19(23,24)25/h2-9H,1H3,(H2,26,29)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50325763
PNG
(1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-5-meth...)
Show SMILES Cc1cc(nn1-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C19H13F6N3O/c1-10-7-16(17(26)29)27-28(10)13-4-2-3-11(8-13)14-9-12(18(20,21)22)5-6-15(14)19(23,24)25/h2-9H,1H3,(H2,26,29)
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Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50325763
PNG
(1-(2',5'-bis(trifluoromethyl)biphenyl-3-yl)-5-meth...)
Show SMILES Cc1cc(nn1-c1cccc(c1)-c1cc(ccc1C(F)(F)F)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C19H13F6N3O/c1-10-7-16(17(26)29)27-28(10)13-4-2-3-11(8-13)14-9-12(18(20,21)22)5-6-15(14)19(23,24)25/h2-9H,1H3,(H2,26,29)
PDB
MMDB

Reactome pathway
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PC sid
UniChem

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Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


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