BDBM50135438 CHEMBL339012::Pyrazine-2-carboxylic acid ((S)-1-{(S)-1-[(2S,4R)-4-benzyloxy-2-(3,3,3-trifluoro-1-formyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-propyl)-amide
SMILES: CC(C)[C@H](NC(=O)c1cnccn1)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NC(CC(F)(F)F)C=O)OCc1ccccc1
InChI Key: InChIKey=MPOYXHXLFKBIAI-BTNFFQCKSA-N
Data: 1 KI
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50135438 (CHEMBL339012 | Pyrazine-2-carboxylic acid ((S)-1-{...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of HCV (Hepatitis C Virus) NS3-4A protease. | Bioorg Med Chem Lett 13: 4059-63 (2003) BindingDB Entry DOI: 10.7270/Q2028QX4 | |||||||||||
More data for this Ligand-Target Pair |