BDBM50122902 4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{1-[2-cyclohexyl-1-(3,3-difluoro-1-phenethylcarbamoyl-propylcarbamoyl)-ethylcarbamoyl]-3-methoxycarbonyl-propylcarbamoyl}-2,2-diphenyl-ethylcarbamoyl)-butyric acid::CHEMBL409677
SMILES: CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)NCCc1ccccc1
InChI Key: InChIKey=YROXKHKMMWFHOY-ZVNYPHDXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus) | BDBM50122902 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{1...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
MRL Rome Curated by ChEMBL | Assay Description Inhibitory activity against Hepatitis C NS3/NS4A protease | J Med Chem 46: 345-8 (2003) Article DOI: 10.1021/jm025594q BindingDB Entry DOI: 10.7270/Q2CF9PF1 | |||||||||||
More data for this Ligand-Target Pair |