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BDBM50233795 (R)-tert-butyl 1-oxo-1-((3-(2,2,2-trifluoroethyl)-3H-imidazo[4,5-b]pyridin-2-yl)methylamino)-3-(2-(trifluoromethyl)phenyl)propan-2-ylcarbamate::CHEMBL252435

SMILES: CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1CC(F)(F)F

InChI Key: InChIKey=RGEPJDFLOZNYEV-QGZVFWFLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50233795   
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))
BDBM50233795
PNG
((R)-tert-butyl 1-oxo-1-((3-(2,2,2-trifluoroethyl)-...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1CC(F)(F)F
Show InChI InChI=1S/C24H25F6N5O3/c1-22(2,3)38-21(37)34-17(11-14-7-4-5-8-15(14)24(28,29)30)20(36)32-12-18-33-16-9-6-10-31-19(16)35(18)13-23(25,26)27/h4-10,17H,11-13H2,1-3H3,(H,32,36)(H,34,37)/t17-/m1/s1
PDB

KEGG

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Blockade of human Nav1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 18: 1696-701 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.047
BindingDB Entry DOI: 10.7270/Q2S46STP
More data for this
Ligand-Target Pair