BDBM50135444 CHEMBL338447::N-((S)-1-((S)-1-((2S,4R)-2-(((S)-1-oxobutan-2-yl)carbamoyl)-4-(benzyloxy)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-yl)pyrazine-2-carboxamide::Pyrazine-2-carboxylic acid ((S)-1-{(S)-1-[(2S,4R)-4-benzyloxy-2-((S)-1-formyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-propyl)-amide
SMILES: CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccccc1)C=O
InChI Key: InChIKey=UWADKHNEIODRRP-BILQSEOESA-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) | BDBM50135444 (CHEMBL338447 | N-((S)-1-((S)-1-((2S,4R)-2-(((S)-1-...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20E+4 | 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 |