BDBM27022 2-[(3S,13S,16S,17R,19S)-3-({[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamoyl}amino)-18,18-dimethyl-2,15-dioxo-1,14-diazatricyclo[14.4.0.0^{17,19}]icosan-13-yl]-2-oxo-N-(prop-2-en-1-yl)acetamide::ketoamide derived macrocyclic inhibitor, 46
SMILES: CC1(C)[C@H]2CN3[C@@H]([C@@H]12)C(=O)N[C@@H](CCCCCCCCC[C@H](NC(=O)N[C@@H](C1CCCCC1)C(=O)C1CC1)C3=O)C(=O)C(=O)NCC=C
InChI Key: InChIKey=JJAALHLOJOKIBI-WPMUBMLPSA-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 |
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HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H)) | BDBM27022 (2-[(3S,13S,16S,17R,19S)-3-({[(1S)-1-cyclohexyl-2-c...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute | Assay Description Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I... | J Med Chem 52: 336-46 (2009) Article DOI: 10.1021/jm800940u BindingDB Entry DOI: 10.7270/Q2639N17 | |||||||||||
More data for this Ligand-Target Pair |