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BDBM50125375 CHEMBL13447::Pyrazine-2-carboxylic acid ((S)-1-{(1S,2S)-1-[(S)-1-((S)-1-benzylaminooxalyl-propylcarbamoyl)-2-cyclohexyl-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-3-methyl-butyl)-amide

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCc1ccccc1

InChI Key: InChIKey=LPBCOZYJBRHXCB-HNXJGGLFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125375   
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))
BDBM50125375
PNG
(CHEMBL13447 | Pyrazine-2-carboxylic acid ((S)-1-{(...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C38H55N7O6/c1-6-25(5)32(45-35(48)29(20-24(3)4)43-36(49)31-23-39-18-19-40-31)37(50)44-30(21-26-14-10-8-11-15-26)34(47)42-28(7-2)33(46)38(51)41-22-27-16-12-9-13-17-27/h9,12-13,16-19,23-26,28-30,32H,6-8,10-11,14-15,20-22H2,1-5H3,(H,41,51)(H,42,47)(H,43,49)(H,44,50)(H,45,48)/t25-,28-,29-,30-,32-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against HCV NS3 protease was determined


Bioorg Med Chem Lett 13: 1111-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00031-3
BindingDB Entry DOI: 10.7270/Q2HQ3Z8T
More data for this
Ligand-Target Pair