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BDBM50131397 2-{[(R)-1-((S)-2-tert-Butoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-4,4-difluoro-butyric acid::CHEMBL94003

SMILES: COc1ccc2c(O[C@@H]3CC(N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC(F)F)C(O)=O)cc(nc2c1)-c1ccccc1

InChI Key: InChIKey=GMAGXLXHYHPQGA-VISSEJMTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50131397   
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)
BDBM50131397
PNG
(2-{[(R)-1-((S)-2-tert-Butoxycarbonylamino-3,3-dime...)
Show SMILES COc1ccc2c(O[C@@H]3CC(N(C3)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC(F)F)C(O)=O)cc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C36H44F2N4O8/c1-35(2,3)30(41-34(47)50-36(4,5)6)32(44)42-19-22(16-27(42)31(43)40-26(33(45)46)18-29(37)38)49-28-17-24(20-11-9-8-10-12-20)39-25-15-21(48-7)13-14-23(25)28/h8-15,17,22,26-27,29-30H,16,18-19H2,1-7H3,(H,40,43)(H,41,47)(H,45,46)/t22-,26?,27?,30-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



MRL Rome

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against hepatitis C virus (HCV) NS3 protease


Bioorg Med Chem Lett 13: 2745-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00536-5
BindingDB Entry DOI: 10.7270/Q2DZ07Q9
More data for this
Ligand-Target Pair