BDBM50150997 4-{2-[(S)-4,4-Difluoro-2-({(2S,4R)-1-((S)-2-isobutoxycarbonylamino-3-methyl-butyryl)-4-[2-(2-isopropylamino-thiazol-4-yl)-7-methoxy-quinolin-4-yloxy]-pyrrolidine-2-carbonyl}-amino)-butyrylamino]-ethyl}-3,5-difluoro-benzoic acid::CHEMBL366124
SMILES: COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCc3c(F)cc(cc3F)C(O)=O)cc(nc2c1)-c1csc(NC(C)C)n1
InChI Key: InChIKey=GHODPLAVFAKUTP-OEJRDIOTSA-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) | BDBM50150997 (4-{2-[(S)-4,4-Difluoro-2-({(2S,4R)-1-((S)-2-isobut...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | 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 |