BDBM496871 indole chloropyridinyl-ester derived, 2

SMILES c1cc(c2c(c1)NCC2)C(=O)Oc3cc(cnc3)Cl

InChI Key InChIKey=JROSKNTUYSPHGX-UHFFFAOYSA-N

Data  1 KI  1 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  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 = 496871   

TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue University

LigandPNGBDBM496871(indole chloropyridinyl-ester derived, 2)
Affinity DataIC50: 320nMAssay Description:IC50 values were determined for compounds that covalently inhibit SARS-CoV-2 3CLpro using our recently described assay and data fitting methods that ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue University

LigandPNGBDBM496871(indole chloropyridinyl-ester derived, 2)
Affinity DataEC50:  1.50E+4nMAssay Description:VeroE6 cells and TMPRSS2-overexpressing VeroE6 (VeroE6TMPRSS2) cells were obtained from the Japanese Collection of Research Bioresources (JCRB) Cell ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/5/2021
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue University

LigandPNGBDBM496871(indole chloropyridinyl-ester derived, 2)
Affinity DataKi:  2.15E+3nMAssay Description:Binding affinity to SARS-CoV-2 Main protease assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed