BDBM11231 N-[(benzyloxy)carbonyl]-L-valyl-N1-((1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide::TG-0205221 Analogue 3::cmdc.202100576, 5c::ethyl (2E,4S)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido]-4-methylpentanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate::peptidomimetic coronavirus 3CLpro inhibitors 3

SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

InChI Key InChIKey=WDMSWWUPIMEGNZ-SGFFKCJDSA-N

Data  3 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 11231   

TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Taigen Biotechnology

LigandPNGBDBM11231(N-[(benzyloxy)carbonyl]-L-valyl-N1-((1S,2E)-4-etho...)
Affinity DataKi:  660nM ΔG°:  -8.43kcal/molepH: 7.5 T: 2°CAssay Description:The effects of compound on enzyme activity were measured by using peptide cleavage assay. Cleavage products were resolved and analyzed with a reverse...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Taigen Biotechnology

LigandPNGBDBM11231(N-[(benzyloxy)carbonyl]-L-valyl-N1-((1S,2E)-4-etho...)
Affinity DataKi:  660nMAssay Description:Please point to the patents.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Taigen Biotechnology

LigandPNGBDBM11231(N-[(benzyloxy)carbonyl]-L-valyl-N1-((1S,2E)-4-etho...)
Affinity DataKi:  660nMAssay Description:The assays are from references cited in this article.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Taigen Biotechnology

LigandPNGBDBM11231(N-[(benzyloxy)carbonyl]-L-valyl-N1-((1S,2E)-4-etho...)
Affinity DataIC50:  286nMAssay Description:SARS-CoV-2 3CLpro expression and purification is based on a published procedure and our modified protocol is found in the supplementary file. A highl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed