BDBM50110120 3-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino}-4-carboxy-butyrylamino)-3-cyclohexyl-propionylamino]-5,5-difluoro-2-oxo-pentanoic acid methyl ester::CHEMBL404815
SMILES: COC(=O)C(=O)[C@H](CC(F)F)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(c1ccccc1)c1ccccc1
InChI Key: InChIKey=FBCFUBQBVXYMCU-JLQWRZHPSA-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) | BDBM50110120 (3-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylam...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2 | n/a | n/a | 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 (HCV) NS3/NS4A serine protease | Bioorg Med Chem Lett 12: 701-4 (2002) BindingDB Entry DOI: 10.7270/Q28P5ZSS | |||||||||||
More data for this Ligand-Target Pair |