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BDBM9720 P3-capped alpha-ketoamide inhibitor 35

SMILES: CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@@H](COC(C)(C)C)C(N)=O

InChI Key: InChIKey=LRQIHHYBLDMHIX-LYHPAYDUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 9720   
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
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM9720
PNG
(P3-capped alpha-ketoamide inhibitor 35)
Show SMILES CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@@H](COC(C)(C)C)C(N)=O |r|
Show InChI InChI=1S/C34H60N6O9/c1-9-13-23(28(42)32(46)36-17-26(41)37-25(29(35)43)19-49-34(6,7)8)38-30(44)24(16-20(2)3)39-31(45)27(22-14-11-10-12-15-22)40-33(47)48-18-21(4)5/h20-25,27H,9-19H2,1-8H3,(H2,35,43)(H,36,46)(H,37,41)(H,38,44)(H,39,45)(H,40,47)/t23?,24-,25-,27-/m0/s1
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Similars
Article
PubMed
 460n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...

Bioorg Med Chem Lett 15: 4180-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.091
BindingDB Entry DOI: 10.7270/Q2KS6PSP
More data for this
Ligand-Target Pair