BDBM50093016 (S)-2-{[(2S,4R)-1-((S)-2-{(2S,3S)-2-[(S)-2-((S)-2-Acetylamino-3-carboxy-propionylamino)-3-carboxy-propionylamino]-3-methyl-pentanoylamino}-3-methyl-butyryl)-4-(4-methyl-benzyloxy)-pyrrolidine-2-carbonyl]-amino}-pentanoic acid::CHEMBL306094
SMILES: CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccc(C)cc1)C(O)=O
InChI Key: InChIKey=GUCCZVAQVHBDSM-QBNRJVCRSA-N
Data: 1 IC50
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) | BDBM50093016 ((S)-2-{[(2S,4R)-1-((S)-2-{(2S,3S)-2-[(S)-2-((S)-2-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Curated by ChEMBL | Assay Description Inhibitory activity against NS3 protease complexed with NS4A cofactor peptide (NS3-4A pep) | Bioorg Med Chem Lett 10: 2267-70 (2001) BindingDB Entry DOI: 10.7270/Q2S1831T | |||||||||||
More data for this Ligand-Target Pair |