BDBM50150606 3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (S)-1-{(S)-2-[(S)-2-(5-carboxy-pentanoylamino)-3-methyl-butyrylamino]-3-methyl-butyryl}-5-(1-cyclopropylaminooxalyl-butylcarbamoyl)-pyrrolidin-3-yl ester::CHEMBL360748
SMILES: CCCC(NC(=O)[C@@H]1CC(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCC(O)=O)C(C)C)C(C)C)OC(=O)N1CCc2ccccc2C1)C(=O)C(=O)NC1CC1
InChI Key: InChIKey=KTOMWINXIOTJNM-ACRPUTFUSA-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) | BDBM50150606 (3,4-Dihydro-1H-isoquinoline-2-carboxylic acid (S)-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratory Curated by ChEMBL | Assay Description Inhibitory potency against HCV NS3 protease | Bioorg Med Chem Lett 14: 4333-8 (2004) Article DOI: 10.1016/j.bmcl.2004.05.078 BindingDB Entry DOI: 10.7270/Q2TX3DVP | |||||||||||
More data for this Ligand-Target Pair |