BDBM12295 1,1-Dimethylethyl-2-[(1R,5S)-2(S)-[[[3-amino-1-(cyclopropylmethyl)-2,3-dioxopropyl]amino]carbonyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1(S)-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamates::SCH 503034 Analogue 54::tert-butyl N-[(1S)-2-[(1R,2S,5S)-2-[(1-carbamoyl-3-cyclopropyl-1-oxopropan-2-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate
SMILES: CC(C)(C)OC(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CC1)C(=O)C(N)=O)C2(C)C
InChI Key: InChIKey=IYLFCYFVRLIDTA-ONZABHSXSA-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)) | BDBM12295 (1,1-Dimethylethyl-2-[(1R,5S)-2(S)-[[[3-amino-1-(cy...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 82 | 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 49: 6074-86 (2006) Article DOI: 10.1021/jm060325b BindingDB Entry DOI: 10.7270/Q2DF6PF6 | |||||||||||
More data for this Ligand-Target Pair |