BDBM50258544 CHEMBL4096388

SMILES CC(C)C[C@H](NC(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O

InChI Key InChIKey=FXGIQTGYEVOOOM-UHFFFAOYSA-N

Data  2 KI  3 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 5 hits for monomerid = 50258544   

TargetFalcipain 2(malaria parasite P. falciparum)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50258544(CHEMBL4096388)
Affinity DataIC50: 110nMAssay Description:Inhibition of recombinant Plasmodium falciparum falcipain-2 expressed in Escherichia coli M15(pREP4) using Cbz-Phe-Arg-AMC as substrate by fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2019
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50258544(CHEMBL4096388)
Affinity DataIC50: 1.57E+5nMAssay Description:Inhibition of SARS-CoV-2 MPro using Dabcyl-KTSAVLQSGFRKME-Edans as substrate at 20 uM measured for 10 mins by fluorescence assay relative to controlMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50258544(CHEMBL4096388)
Affinity DataIC50: 1.58E+5nMAssay Description:Inhibition of C-terminal 6His-tagged SARS-CoV-2 Main protease expressed in Escherichia coli BL21-Gold (DE3) using Dabcyl-KTSAVLQSGFRKME-Edans as subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50258544(CHEMBL4096388)
Affinity DataKi:  0.900nMAssay Description:Inhibition of recombinant Trypanosoma brucei rhodesiense rhodesain expressed in Pichia pastoris using Cbz-Phe-Arg-AMC as substrate after 30 min by fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2019
Entry Details Article
PubMed
TargetProcathepsin L(Human)
University of Messina

Curated by ChEMBL
LigandPNGBDBM50258544(CHEMBL4096388)
Affinity DataKi:  3.5nMAssay Description:Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/26/2019
Entry Details Article
PubMed