BDBM50144349 4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-isobutoxycarbonylamino-3-methyl-butyryl)-4-phenyl-pyrrolidine-2-carbonyl]-amino}-butyrylamino)-ethyl]-3-(S)-fluoro-5-fluoro-benzoic acid::CHEMBL68034
SMILES: CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)c1ccccc1
InChI Key: InChIKey=AMZZGYSKKBGEAC-NLALRGLNSA-N
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) | BDBM50144349 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-isobutoxyc...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against Hepatitis C virus Non structural protein 3 serine protease/Non structural protein 4A serine protease | Bioorg Med Chem Lett 14: 4575-9 (2004) Article DOI: 10.1016/j.bmcl.2004.05.093 BindingDB Entry DOI: 10.7270/Q27S7PHC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus (HCV)) | BDBM50144349 (4-[2-((S)-4,4-Difluoro-2-{[(2S,4S)-1-(2-isobutoxyc...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome Curated by ChEMBL | Assay Description Inhibition of Hepatitis C virus NS3 protease in vitro. | Bioorg Med Chem Lett 14: 2151-4 (2004) Article DOI: 10.1016/j.bmcl.2004.02.032 BindingDB Entry DOI: 10.7270/Q2HH6JJH | |||||||||||
More data for this Ligand-Target Pair |