BDBM50110143 4-{(S)-1-[(S)-1-((S)-3,3-Difluoro-1-oxalyl-propylcarbamoyl)-3-methyl-butylcarbamoyl]-2-methyl-butylcarbamoyloxymethyl}-benzoic acid::CHEMBL348944
SMILES: CCC(C)[C@H](NC(=O)OCc1ccc(cc1)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O
InChI Key: InChIKey=RGWKVRZMAIZNKR-UHSCEXLASA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Genome polyprotein (Hepatitis C virus (HCV)) | BDBM50110143 (4-{(S)-1-[(S)-1-((S)-3,3-Difluoro-1-oxalyl-propylc...) | PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM, MRL Rome Curated by ChEMBL | Assay Description Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease | Bioorg Med Chem Lett 12: 705-8 (2002) BindingDB Entry DOI: 10.7270/Q24X572V | |||||||||||
More data for this Ligand-Target Pair |