Compile Data Set for Download or QSAR
Report error Found 44 Enz. Inhib. hit(s) with all data for entry = 9879
TargetReplicase polyprotein 1ab(2019-nCoV)
Purdue University

LigandChemical structure of BindingDB Monomer ID 496891BDBM496891(GRL-2420)
Affinity DataKi:  18nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496875BDBM496875(indole chloropyridinyl-ester derived, 7d)
Affinity DataIC50: 73nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496873BDBM496873(indole chloropyridinyl-ester derived, 7b)
Affinity DataIC50: 120nMAssay 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

LigandChemical structure of BindingDB Monomer ID 429304BDBM429304(jm5b01461, Compound 124 | indole chloropyridinyl-e...)
Affinity DataIC50: 250nMAssay 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

LigandChemical structure of BindingDB Monomer ID 429306BDBM429306(jm5b01461, Compound 126 | indole chloropyridinyl-e...)
Affinity DataIC50: 310nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496871BDBM496871(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

LigandChemical structure of BindingDB Monomer ID 496881BDBM496881(indole chloropyridinyl-ester derived, 7j)
Affinity DataIC50: 340nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496876BDBM496876(indole chloropyridinyl-ester derived, 7e)
Affinity DataIC50: 380nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496884BDBM496884(indole chloropyridinyl-ester derived, 7m)
Affinity DataIC50: 419nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496877BDBM496877(indole chloropyridinyl-ester derived, 7f)
Affinity DataIC50: 470nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496882BDBM496882(indole chloropyridinyl-ester derived, 7k)
Affinity DataIC50: 489nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496879BDBM496879(indole chloropyridinyl-ester derived, 7h)
Affinity DataIC50: 590nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496880BDBM496880(indole chloropyridinyl-ester derived, 7i)
Affinity DataIC50: 870nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496874BDBM496874(indole chloropyridinyl-ester derived, 7c)
Affinity DataIC50: 900nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496883BDBM496883(indole chloropyridinyl-ester derived, 7l)
Affinity DataIC50: 1.19E+3nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496888BDBM496888(indole chloropyridinyl-ester derived, 9d)
Affinity DataIC50: 2.22E+3nMAssay 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

LigandChemical structure of BindingDB Monomer ID 429304BDBM429304(jm5b01461, Compound 124 | indole chloropyridinyl-e...)
Affinity DataEC50:  2.80E+3nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496879BDBM496879(indole chloropyridinyl-ester derived, 7h)
Affinity DataEC50:  3.10E+3nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496891BDBM496891(GRL-2420)
Affinity DataEC50:  4.20E+3nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496890BDBM496890(indole chloropyridinyl-ester derived, 9f)
Affinity DataIC50: 4.43E+3nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496874BDBM496874(indole chloropyridinyl-ester derived, 7c)
Affinity DataEC50:  8.10E+3nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496878BDBM496878(indole chloropyridinyl-ester derived, 7g)
Affinity DataIC50: 1.03E+4nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496876BDBM496876(indole chloropyridinyl-ester derived, 7e)
Affinity DataEC50:  1.15E+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

LigandChemical structure of BindingDB Monomer ID 496880BDBM496880(indole chloropyridinyl-ester derived, 7i)
Affinity DataEC50:  1.40E+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

LigandChemical structure of BindingDB Monomer ID 496871BDBM496871(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

LigandChemical structure of BindingDB Monomer ID 496875BDBM496875(indole chloropyridinyl-ester derived, 7d)
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

LigandChemical structure of BindingDB Monomer ID 496889BDBM496889(indole chloropyridinyl-ester derived, 9e)
Affinity DataIC50: 1.53E+4nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496888BDBM496888(indole chloropyridinyl-ester derived, 9d)
Affinity DataEC50:  1.93E+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

LigandChemical structure of BindingDB Monomer ID 496889BDBM496889(indole chloropyridinyl-ester derived, 9e)
Affinity DataEC50:  3.00E+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

LigandChemical structure of BindingDB Monomer ID 429306BDBM429306(jm5b01461, Compound 126 | indole chloropyridinyl-e...)
Affinity DataEC50:  4.37E+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

LigandChemical structure of BindingDB Monomer ID 496877BDBM496877(indole chloropyridinyl-ester derived, 7f)
Affinity DataEC50:  5.67E+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

LigandChemical structure of BindingDB Monomer ID 496890BDBM496890(indole chloropyridinyl-ester derived, 9f)
Affinity DataEC50:  5.70E+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

LigandChemical structure of BindingDB Monomer ID 496882BDBM496882(indole chloropyridinyl-ester derived, 7k)
Affinity DataEC50:  5.71E+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

LigandChemical structure of BindingDB Monomer ID 496873BDBM496873(indole chloropyridinyl-ester derived, 7b)
Affinity DataEC50:  6.98E+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

LigandChemical structure of BindingDB Monomer ID 496881BDBM496881(indole chloropyridinyl-ester derived, 7j)
Affinity DataEC50: >1.00E+5nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496887BDBM496887(indole chloropyridinyl-ester derived, 9c)
Affinity DataEC50: >1.00E+5nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496887BDBM496887(indole chloropyridinyl-ester derived, 9c)
Affinity DataIC50: 1.00E+5nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496886BDBM496886(indole chloropyridinyl-ester derived, 9b)
Affinity DataEC50:  1.00E+5nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496878BDBM496878(indole chloropyridinyl-ester derived, 7g)
Affinity DataEC50: >1.00E+5nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496886BDBM496886(indole chloropyridinyl-ester derived, 9b)
Affinity DataIC50: 1.00E+5nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496885BDBM496885(indole chloropyridinyl-ester derived, 9a)
Affinity DataEC50:  1.00E+5nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496885BDBM496885(indole chloropyridinyl-ester derived, 9a)
Affinity DataIC50: 1.00E+5nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496884BDBM496884(indole chloropyridinyl-ester derived, 7m)
Affinity DataEC50: >1.00E+5nMAssay 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

LigandChemical structure of BindingDB Monomer ID 496883BDBM496883(indole chloropyridinyl-ester derived, 7l)
Affinity DataEC50: >1.00E+5nMAssay 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