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BDBM50223139 CHEMBL249358::tert-butyl (R)-1-((R)-5-isopropyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-ylamino)-1-oxo-3-(2-(trifluoromethoxy)phenyl)propan-2-ylcarbamate

SMILES: CC(C)N1c2ccccc2OC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O

InChI Key: InChIKey=RAPBVOOPLNIYRM-RTBURBONSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50223139   
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))		BDBM50223139
PNG
(CHEMBL249358 | tert-butyl (R)-1-((R)-5-isopropyl-4...)
Show SMILES CC(C)N1c2ccccc2OC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C27H32F3N3O6/c1-16(2)33-20-11-7-9-13-22(20)37-15-19(24(33)35)31-23(34)18(32-25(36)39-26(3,4)5)14-17-10-6-8-12-21(17)38-27(28,29)30/h6-13,16,18-19H,14-15H2,1-5H3,(H,31,34)(H,32,36)/t18-,19-/m1/s1
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PC cid
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Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay

Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair