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BDBM50235513 CHEMBL399886::tert-butyl (R)-1-((R)-5-(cyclopropylmethyl)-1-isopropyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-ylamino)-1-oxo-3-phenylpropan-2-ylcarbamate

SMILES: CC(C)N1c2ccccc2N(CC2CC2)C[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O

InChI Key: InChIKey=YWAMPHXTVIKHNU-DNQXCXABSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235513   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50235513
PNG
(CHEMBL399886 | tert-butyl (R)-1-((R)-5-(cyclopropy...)
Show SMILES CC(C)N1c2ccccc2N(CC2CC2)C[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C30H40N4O4/c1-20(2)34-26-14-10-9-13-25(26)33(18-22-15-16-22)19-24(28(34)36)31-27(35)23(17-21-11-7-6-8-12-21)32-29(37)38-30(3,4)5/h6-14,20,22-24H,15-19H2,1-5H3,(H,31,35)(H,32,37)/t23-,24-/m1/s1
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Article
PubMed
n/an/a 52n/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