BDBM50110126 4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3-carboxy-1-[2-cyclohexyl-1-(1-formyl-but-3-enylcarbamoyl)-ethylcarbamoyl]-propylcarbamoyl}-2,2-diphenyl-ethylcarbamoyl)-butyric acid::CHEMBL162028
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=C)C=O
InChI Key: InChIKey=BBDPSWRVFZTKBL-WCNGYWJASA-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) | BDBM50110126 (4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 7 | 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 |