BDBM50599197 CHEMBL5173582::US11753373, Compound D-1-f

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=O)C2(C)C

InChI Key InChIKey=JWXAEBWTZFPHAP-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50599197   

TargetReplicase polyprotein 1ab(2019-nCoV)
Acea Therapeutics

US Patent
LigandPNGBDBM50599197(CHEMBL5173582 | US11753373, Compound D-1-f)
Affinity DataIC50: 1.08nMAssay Description:Mpro activity was measured according to the manufacturer's protocol (BPS Biosciences, cat #78042-2) in 384-well plates. The included recombinant un-t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/20/2023
Entry Details
Go to US Patent

TargetReplicase polyprotein 1ab(2019-nCoV)
Acea Therapeutics

US Patent
LigandPNGBDBM50599197(CHEMBL5173582 | US11753373, Compound D-1-f)
Affinity DataIC50: 10nMAssay 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
LigandPNGBDBM50599197(CHEMBL5173582 | US11753373, Compound D-1-f)
Affinity DataIC50: 16nMAssay 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)
Acea Therapeutics

US Patent
LigandPNGBDBM50599197(CHEMBL5173582 | US11753373, Compound D-1-f)
Affinity DataIC50: 290nMAssay 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