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BDBM50152758 (S)-2-((S)-2-{(S)-2-Cyclohexyl-2-[(pyrazine-2-carbonyl)-amino]-acetylamino}-3,3-dimethyl-butyryl)-octahydro-cyclopenta[c]pyrrole-1-carboxylic acid [1-((S)-2-methyl-butylaminooxalyl)-butyl]-amide::CHEMBL360843

SMILES: CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC[C@@H](C)CC

InChI Key: InChIKey=HEYZRIKYGFPDQJ-YIEYXKGJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50152758   
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
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)		BDBM50152758
PNG
((S)-2-((S)-2-{(S)-2-Cyclohexyl-2-[(pyrazine-2-carb...)
Show SMILES CCCC(NC(=O)[C@@H]1C2CCCC2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC[C@@H](C)CC
Show InChI InChI=1S/C38H59N7O6/c1-7-13-27(31(46)36(50)41-20-23(3)8-2)42-35(49)30-26-17-12-16-25(26)22-45(30)37(51)32(38(4,5)6)44-34(48)29(24-14-10-9-11-15-24)43-33(47)28-21-39-18-19-40-28/h18-19,21,23-27,29-30,32H,7-17,20,22H2,1-6H3,(H,41,50)(H,42,49)(H,43,47)(H,44,48)/t23-,25?,26?,27?,29-,30-,32+/m0/s1
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Similars
Article
PubMed
 250n/an/an/an/an/an/an/an/a



Lilly Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of HCV NS3 protease in the pNA based inhibition assay

Bioorg Med Chem Lett 14: 5007-11 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.007
BindingDB Entry DOI: 10.7270/Q29P314N
More data for this
Ligand-Target Pair