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SMILES: CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1Cc2ccccc2C1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1

InChI Key: InChIKey=TUHFONVJWAMROS-GVXAZHQCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12498   
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
Genome polyprotein


(Hepatitis C virus (HCV genotype 1a, isolate H))		BDBM12498
PNG
((2S)-({N-[3-({[(7R,9S,12S)-12-(2,3-dihydro-1H-inde...)
Show SMILES CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cccc(OCCC(C)(C)O2)c1)C1Cc2ccccc2C1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C47H58N6O9/c1-6-13-36(42(56)44(58)48-27-39(55)51-40(45(59)52(4)5)30-15-8-7-9-16-30)49-43(57)37-26-35-28-53(37)46(60)41(33-24-31-17-10-11-18-32(31)25-33)50-38(54)23-29-14-12-19-34(22-29)61-21-20-47(2,3)62-35/h7-12,14-19,22,33,35-37,40-41H,6,13,20-21,23-28H2,1-5H3,(H,48,58)(H,49,57)(H,50,54)(H,51,55)/t35-,36?,37+,40+,41+/m1/s1
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Article
PubMed
 40n/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...

J Med Chem 49: 995-1005 (2006)


Article DOI: 10.1021/jm050820s
BindingDB Entry DOI: 10.7270/Q2H70D13
More data for this
Ligand-Target Pair