BDBM11229 AG7088 analogue 2a::CHEMBL20636::N-[(5-methylisoxazol-3-yl)carbonyl]-L-valyl-N-((1S,2E)-4-ethoxy-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-4-fluoro-L-phenylalaninamide::TG-0205221 Analogue 1::ethyl (2E,4S)-4-[(2S)-3-(4-fluorophenyl)-2-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)formamido]butanamido]propanamido]-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](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C

InChI Key InChIKey=JSJRYDPMCHPLOL-LTXGZIODSA-N

Data  1 KI  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 11229   

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

LigandPNGBDBM11229(AG7088 analogue 2a | CHEMBL20636 | N-[(5-methyliso...)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/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
TargetGenome polyprotein(Human rhinovirus B)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM11229(AG7088 analogue 2a | CHEMBL20636 | N-[(5-methyliso...)
Affinity DataEC50:  10nMAssay 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
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Taigen Biotechnology

LigandPNGBDBM11229(AG7088 analogue 2a | CHEMBL20636 | N-[(5-methyliso...)
Affinity DataIC50: >1.00E+5nMpH: 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