BDBM50096727 (S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-propionylamino]-4-[(S)-1-((S)-2,2-dimethyl-1-{(S)-3-methyl-1-[(R)-3,3,3-trifluoro-1-(3-methoxy-benzylaminooxalyl)-propylcarbamoyl]-butylcarbamoyl}-propylcarbamoyl)-2-o-tolyl-ethylcarbamoyl]-butyricacid::CHEMBL405033
SMILES: COc1cccc(CNC(=O)C(=O)[C@@H](CC(F)(F)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCC(O)=O)C(C)(C)C)c1
InChI Key: InChIKey=MJPVAXQMSOFKDD-GSJKKGKHSA-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) | BDBM50096727 ((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discover Welwyn Curated by ChEMBL | Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio... | Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322 | |||||||||||
More data for this Ligand-Target Pair |