BDBM9753 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deriv. 24::tert-butyl N-[(2S)-1-[(3S)-3-({3-cyclopropyl-1-[({[(S)-(dimethylcarbamoyl)(phenyl)methyl]carbamoyl}methyl)carbamoyl]-1-oxopropan-2-yl}carbamoyl)-2-azabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILES: CN(C)C(=O)[C@@H](NC(=O)CNC(=O)C(=O)C(CC1CC1)NC(=O)[C@@H]1C2CCC(C2)N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1
InChI Key: InChIKey=QHFTWQLONUZXEB-UKRMLWEFSA-N
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)) | BDBM9753 (2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid deri...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 19 | -10.7 | n/a | n/a | n/a | n/a | n/a | 6.5 | 30 |
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... | Bioorg Med Chem Lett 16: 1628-32 (2006) Article DOI: 10.1016/j.bmcl.2005.12.046 BindingDB Entry DOI: 10.7270/Q2B856BB | |||||||||||
More data for this Ligand-Target Pair |