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BDBM50332662 1-(4'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)biphenyl-3-yl)-1H-pyrazole-3,5-dicarboxamide::CHEMBL1631101

SMILES: NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1ccc(F)cc1OCC(F)(F)C(F)(F)F

InChI Key: InChIKey=WISFZHDUKWADFP-UHFFFAOYSA-N

Data: 1 IC50

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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 = 50332662   
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))
BDBM50332662
PNG
(1-(4'-fluoro-2'-(2,2,3,3,3-pentafluoropropoxy)biph...)
Show SMILES NC(=O)c1cc(C(N)=O)n(n1)-c1cccc(c1)-c1ccc(F)cc1OCC(F)(F)C(F)(F)F
Show InChI InChI=1S/C20H14F6N4O3/c21-11-4-5-13(16(7-11)33-9-19(22,23)20(24,25)26)10-2-1-3-12(6-10)30-15(18(28)32)8-14(29-30)17(27)31/h1-8H,9H2,(H2,27,31)(H2,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 106n/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