BDBM50144357 3-Chloro-4-(2-{(S)-4,4-difluoro-2-[(S)-2-((S)-2-isobutoxycarbonylamino-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-butyrylamino}-ethyl)-benzoic acid::3-Chloro-4-[2-(4,4-difluoro-2-{(S)-(S)-2-[2-((S)-isobutoxycarbonylamino)-3-methyl-butyrylamino]-4-methyl-pentanoylamino}-butyrylamino)-ethyl]-benzoic acid::CHEMBL68035
SMILES: CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccc(cc1Cl)C(O)=O
InChI Key: InChIKey=IUZHSMGDOMNJSI-FIXSFTCYSA-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) | BDBM50144357 (3-Chloro-4-(2-{(S)-4,4-difluoro-2-[(S)-2-((S)-2-is...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 12 | 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)) | BDBM50144357 (3-Chloro-4-(2-{(S)-4,4-difluoro-2-[(S)-2-((S)-2-is...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.40E+3 | 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 |