Compile Data Set for Download or QSAR
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Report error Found 9 Enz. Inhib. hit(s) with all data for entry = 8774
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM34233(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Affinity DataIC50:  670nMAssay Description:Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50166940(NP-031112 | NP-12 | Tideglusib | US20230414581, Co...)
Affinity DataIC50:  1.55E+3nMAssay Description:Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50431275(CARMOFUR | Carm-ofur | Mifurol | med.21724, Compou...)
Affinity DataIC50:  1.82E+3nMAssay Description:Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Affinity DataIC50:  9.35E+3nMAssay Description:Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM178090(5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)nap...)
Affinity DataIC50:  1.58E+4nMAssay Description:Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM50426071(CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...)
Affinity DataIC50:  2.14E+4nMAssay Description:Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM419120(acs.jmedchem.1c00409_ST.487 | cmdc.202100576, 8d(N...)
Affinity DataIC50:  1.25E+5nMAssay Description:Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM419120(acs.jmedchem.1c00409_ST.487 | cmdc.202100576, 8d(N...)
Affinity DataEC50:  1.68E+4nMAssay Description:To further substantiate the enzymatic inhibition results in vitro, we evaluated whether these compounds could prevent viral replication in cell-based...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Shanghaitech University

LigandPNGBDBM178090(5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)nap...)
Affinity DataEC50:  4.67E+3nMAssay Description:To further substantiate the enzymatic inhibition results in vitro, we evaluated whether these compounds could prevent viral replication in cell-based...More data for this Ligand-Target Pair