BDBM11230 AG7088 analogue 2d::CHEMBL277716::N-[(benzyloxy)carbonyl]-L-valyl-N-((1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-phenylalaninamide::TG-0205221 Analogue 2::acs.jmedchem.1c00409_ST.305::cmdc.202100576, 5d::ethyl (2E,4S)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido]-3-phenylpropanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

InChI Key InChIKey=MQOSRSSZYUXZNH-XFFCECHOSA-N

Data  3 KI  2 IC50  1 EC50

  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 5 hits for monomerid = 11230   

TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Experimental Drug Development Centre

LigandPNGBDBM11230(AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...)
Affinity DataKi:  2.26E+3nM IC50:  8.50E+4nMAssay 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...)
Experimental Drug Development Centre

LigandPNGBDBM11230(AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...)
Affinity DataKi:  2.26E+3nM ΔG°:  -7.70kcal/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...)
Experimental Drug Development Centre

LigandPNGBDBM11230(AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...)
Affinity DataKi:  2.26E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Experimental Drug Development Centre

LigandPNGBDBM11230(AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...)
Affinity DataIC50:  8.50E+4nMpH: 7.0 T: 2°CAssay Description:The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Human rhinovirus B)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM11230(AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...)
Affinity DataEC50:  30nMAssay Description:Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed