BDBM50150990 4-[2-((S)-2-{[(R)-4-Cyclohexyl-1-((S)-2-isobutoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-4,4-difluoro-butyrylamino)-ethyl]-3,5-difluoro-benzoic acid
SMILES: CC(C)COC(=O)N[C@@H](C(C)C)C(=O)N1CC(CC1C(=O)N[C@@H](CC(F)F)C(=O)NCCc1c(F)cc(cc1F)C(O)=O)C1CCCCC1
InChI Key: InChIKey=UCOUPAPCCRXGDZ-WAELACDFSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus) | BDBM50150990 (4-[2-((S)-2-{[(R)-4-Cyclohexyl-1-((S)-2-isobutoxyc...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 35 | 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 |