BDBM50187937 (7R,9S,12S)-12-cyclohexyl-18-methoxy-11,14-dioxo-2,6-dioxa-10,13-diaza-tricyclo[14.3.1.1*7,10*]henicosa-1(19),16(20),17-triene-9-carboxylic acid [1-((S)-dimethylcarbamoyl-phenyl-methyl)-carbamoyl]-methyl)-aminooxalyl)-butyl)-amide::CHEMBL377561
SMILES: CCCC(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@@H](NC(=O)Cc1cc(OC)cc(OCCCO2)c1)C1CCCCC1)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1
InChI Key: InChIKey=ZEYCJVJHDGZUKD-UYEJHXQVSA-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) | BDBM50187937 ((7R,9S,12S)-12-cyclohexyl-18-methoxy-11,14-dioxo-2...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering Plough Research Institute Curated by ChEMBL | Assay Description Binding affinity to HCV NS3 protease | Bioorg Med Chem Lett 16: 3960-5 (2006) Article DOI: 10.1016/j.bmcl.2006.05.022 BindingDB Entry DOI: 10.7270/Q28K78QB | |||||||||||
More data for this Ligand-Target Pair |