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SMILES: CN1c2ccccc2N(CC2CCC2)C[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)C1=O

InChI Key: InChIKey=YEPYJCGQGXMMOS-DHIUTWEWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235498   
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))		BDBM50235498
PNG
(CHEMBL253877 | tert-butyl (R)-1-((R)-5-(cyclobutyl...)
Show SMILES CN1c2ccccc2N(CC2CCC2)C[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C29H37FN4O4/c1-29(2,3)38-28(37)32-22(16-20-12-5-6-13-21(20)30)26(35)31-23-18-34(17-19-10-9-11-19)25-15-8-7-14-24(25)33(4)27(23)36/h5-8,12-15,19,22-23H,9-11,16-18H2,1-4H3,(H,31,35)(H,32,37)/t22-,23-/m1/s1
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Similars
Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 18: 1963-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.123
BindingDB Entry DOI: 10.7270/Q24T6J4T
More data for this
Ligand-Target Pair