BDBM50122900 (5R,8S,11S,14S,17S,20S)-20-acetamido-14-benzhydryl-11,17-bis(2-carboxyethyl)-1-(2-chlorophenyl)-8-(cyclohexylmethyl)-5-(mercaptomethyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazadocosan-22-oic acid::4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{1-[1-(1-{[2-(2-chloro-phenyl)-ethyl]-methyl-carbamoyl}-2-mercapto-ethylcarbamoyl)-2-cyclohexyl-ethylcarbamoyl]-3-methoxycarbonyl-propylcarbamoyl}-2,2-diphenyl-ethylcarbamoyl)-butyric acid::CHEMBL263172
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](CS)C(=O)NCCc1ccccc1Cl
InChI Key: InChIKey=ZEQISCWXSBUQIT-VUKWIJDPSA-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) | BDBM50122900 ((5R,8S,11S,14S,17S,20S)-20-acetamido-14-benzhydryl...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | 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 |