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BDBM50169413 CHEMBL188984::Pyrazine-2-carboxylic acid {(S)-1-[1-((S)-2-cyclohexyl-1-{(S)-(S)-3,3-difluoro-1-[2-(5-hexanoylamino-[1,3,4]thiadiazole-2-sulfonylamino)-2-oxo-ethylaminooxalyl]-propylcarbamoyl}-ethylcarbamoyl)-2-methyl-butylcarbamoyl]-3-methyl-butyl}-amide

SMILES: CCCCCC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)CNC(=O)C(=O)[C@H](CC(F)F)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)[C@@H](C)CC

InChI Key: InChIKey=MCKHLCBEWDSTMX-FJKAGRRGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50169413   
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)		BDBM50169413
PNG
(CHEMBL188984 | Pyrazine-2-carboxylic acid {(S)-1-[...)
Show SMILES CCCCCC(=O)Nc1nnc(s1)S(=O)(=O)NC(=O)CNC(=O)C(=O)[C@H](CC(F)F)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)[C@@H](C)CC
Show InChI InChI=1S/C41H61F2N11O10S2/c1-6-8-10-15-31(55)50-40-52-53-41(65-40)66(63,64)54-32(56)22-46-39(62)34(57)26(20-30(42)43)47-35(58)28(19-25-13-11-9-12-14-25)49-38(61)33(24(5)7-2)51-36(59)27(18-23(3)4)48-37(60)29-21-44-16-17-45-29/h16-17,21,23-28,30,33H,6-15,18-20,22H2,1-5H3,(H,46,62)(H,47,58)(H,48,60)(H,49,61)(H,51,59)(H,54,56)(H,50,52,55)/t24-,26-,27-,28-,33-/m0/s1
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Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycine alpha-ketoamide HCV NS3 protease

Bioorg Med Chem Lett 15: 3487-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.003
BindingDB Entry DOI: 10.7270/Q2V12495
More data for this
Ligand-Target Pair