BDBM11243 AG7088::CHEMBL20210::US11859014, Compound rupintrivir::cmdc.202100576, 24f::ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-{[(5-methylisoxazol-3-yl)carbonyl]amino}-4-oxoheptanoyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate::ethyl (2E,4S)-4-[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)formamido]-4-oxoheptanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate::med.21724, Compound 29

SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1

InChI Key InChIKey=CAYJBRBGZBCZKO-UHFFFAOYSA-N

Data  2 KI  9 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 11243   

TargetGenome polyprotein(Human rhinovirus B)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataEC50:  5nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGenome polyprotein(Human rhinovirus B)
Agouron Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataIC50: 23nMAssay Description:Reversible inhibitory activity against ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGenome polyprotein(Norovirus Hu/GII.P4_GII.4/Minerva)
Emory University

US Patent
LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataKi:  8.20E+3nMAssay Description:The ability of these compounds to inhibit the NoV, specifically Minerva virus protease catalytic Cys139 covalently (IC50 and Ki) was determined with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
US Patent

LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Phosphatidylinositol 4-Kinase III beta (unknown origin) preincubated for 10 min followed by incubated with ATP for 1 hr by ADP-Glo kina...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataKi: >1.00E+4nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetPhosphatidylinositol 4-kinase alpha(Human)
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant full length GST tagged P14KIII alpha (residues 1 to 854) incubated for 10 mins by ADP-Glo kinase methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetPhosphatidylinositol 4-kinase alpha(Human)
Korea Research Institute of Chemical Technology

Curated by ChEMBL
LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Phosphatidylinositol 4-Kinase III alpha (unknown origin) preincubated for 10 min followed by incubated with ATP for 1 hr by ADP-Glo kin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant GST tagged P14KIII beta incubated for 10 mins by ADP-Glo kinase methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of SARS-CoV-2 MProMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(HCoV-229E)
University of Bonn

LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataIC50: 2.00E+4nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataIC50: 2.00E+4nMAssay Description:Please point to the patents.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2021
Entry Details Article
PubMed
TargetGenome polyprotein(Norovirus Hu/GII.P4_GII.4/Minerva)
Emory University

US Patent
LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataIC50: 2.36E+4nMAssay Description:The ability of these compounds to inhibit the NoV, specifically Minerva virus protease catalytic Cys139 covalently (IC50 and Ki) was determined with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
US Patent

TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
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 Depth
Date in BDB:
9/26/2006
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate preincubated for 30 mins followed by substrate addition measured after 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
TargetReplicase polyprotein 1ab(SARS-CoV)
University of Bonn

LigandPNGBDBM11243(ethyl (2E,4S)-4-[((2R,5S)-2-(4-fluorobenzyl)-6-met...)
Affinity DataIC50: 8.00E+5nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2020
Entry Details Article
PubMed