BDBM50599199 CHEMBL5178853

SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(N)=O)C2(C)C

InChI Key InChIKey=OOGWLUVPYYAXCE-UHFFFAOYSA-N

Data  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 3 hits for monomerid = 50599199   

TargetReplicase polyprotein 1ab(2019-nCoV)
Experimental Drug Development Centre

Curated by ChEMBL
LigandPNGBDBM50599199(CHEMBL5178853)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of full length SARS-CoV-2 3CLpro expressed in Escherichia coli BL21 (DE3) cells using (DABCYL)KTSAVLQSGFRKM(Glu)(EDANS) peptide as substra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(HCoV-229E)
Experimental Drug Development Centre

Curated by ChEMBL
LigandPNGBDBM50599199(CHEMBL5178853)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of full length C terminal His-tagged Human coronavirus 229E 3CLpro expressed in Escherichia coli Rosetta (DE3) cells using (DABCYL)KTSAVLQ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Experimental Drug Development Centre

Curated by ChEMBL
LigandPNGBDBM50599199(CHEMBL5178853)
Affinity DataIC50: 8.00E+4nMAssay Description:Inhibition of recombinant hexa-His tagged SARS-COV2 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQISGFRKM-E(Edans)-NH2 as substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed