BDBM50326055 (1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopropylsulfonyl)amino]carbonyl}-2-ethylcyclopropyl)-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]-heptacosa-6,8,10-triene-24-carboxamide::(1R,21S,24S)-21-tert-butyl-N-((1R,2R)-1-{[(cyclopropylsulfonyl)amino]carbonyl}-2-ethylcyclopropyl)-16,16-dimethyl-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,70.06,11]heptacosa-6,8,10-triene-24-carboxamide::CHEMBL599872::MK-7009

SMILES CC(C)(C)[C@@H]1NC(=O)OCC(C)(C)CCCCc2cccc3CN(Cc23)C(=O)O[C@@H]2C[C@H](N(C2)C1=O)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1

InChI Key InChIKey=HPAPGONEMPZXMM-ONAXAZCASA-N

Data  4 KI  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50326055   

TargetGenome polyprotein(Hepatitis C virus)
TBA

Curated by ChEMBL
LigandPNGBDBM50326055((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...)
Affinity DataKi:  0.0500nMAssay Description:Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepacivirus C)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326055((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...)
Affinity DataKi:  22nMAssay Description:Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156T mutant expressed in Escherichia coli by time-resolved fluorescence ana...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepacivirus C)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326055((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...)
Affinity DataKi:  77nMAssay Description:Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease D168V mutant expressed in Escherichia coli by time-resolved fluorescence ana...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Hepacivirus C)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50326055((1R,21S,24S)-21-tert-Butyl-N-((1R,2R)-1-{[(cyclopr...)
Affinity DataKi:  88nMAssay Description:Inhibition of Hepatitis C virus (isolate BK) genotype 1b NS3/4a protease A156V mutant expressed in Escherichia coli by time-resolved fluorescence ana...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed