BDBM50137965 1-((2S,4R)-1-((S)-2-((S)-2-acetamido-2-cyclohexylacetamido)-3-methylbutanoyl)-4-(2-phenylquinolin-4-yloxy)pyrrolidine-2-carboxamido)cyclopropanecarboxylic acid::1-{[(R)-(S)-1-[(S)-2-((S)-2-Acetylamino-2-cyclohexyl-acetylamino)-3-methyl-butyryl]-4-(2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-cyclopropanecarboxylic acid::CHEMBL82642
SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)NC1(CC1)C(O)=O)Oc1cc(nc2ccccc12)-c1ccccc1
InChI Key: InChIKey=XYKWYUBQHGYYKO-SAMUMNIESA-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) | BDBM50137965 (1-((2S,4R)-1-((S)-2-((S)-2-acetamido-2-cyclohexyla...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against hepatitis C virus NS3 protease | J Med Chem 47: 123-32 (2003) Article DOI: 10.1021/jm0303002 BindingDB Entry DOI: 10.7270/Q2Q52P2S | |||||||||||
More data for this Ligand-Target Pair |