Compile Data Set for Download or QSAR
Found 32 Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab [1541-1855]'
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM154573(8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...)copy SMILEScopy InChI
Affinity DataKi:  1.15E+4nM IC50: 1.09E+4nMpH: 7.5Assay Description:done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2086426PubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)copy SMILEScopy InChI
Affinity DataIC50: 230nMpH: 7.5Assay Description:done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31531(Substituted Benzamide Derivative, 2 | med.21724, C...)copy SMILEScopy InChI
Affinity DataIC50: 460nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31523(Compound 6 | Naphthalene and Benzamide Derivative,...)copy SMILEScopy InChI
Affinity DataIC50: 560nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM50007789(CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...)copy SMILEScopy InChI
Affinity DataIC50: 980nMpH: 7.5Assay Description:done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31530(2-methyl-5-[(methylamino)methyl]-N-[(1R)-1-(naphth...)copy SMILEScopy InChI
Affinity DataIC50: 1.18E+3nMpH: 7.5Assay Description:done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2086426PubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM50007789(CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMpH: 7.5Assay Description:The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31530(2-methyl-5-[(methylamino)methyl]-N-[(1R)-1-(naphth...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+3nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31528(Substituted Benzamide Derivative, 32)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+3nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM154574(N-(2H-1,3-benzodioxol-5-ylmethyl)-1-[(1S)-1-(napht...)copy SMILEScopy InChI
Affinity DataIC50: 2.26E+3nMpH: 7.5Assay Description:done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2086426PubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31520(Naphthalene and Benzamide Derivative, 5h)copy SMILEScopy InChI
Affinity DataIC50: 2.30E+3nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)copy SMILEScopy InChI
Affinity DataIC50: 2.64E+3nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31527(Substituted Benzamide Derivative, 40)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+3nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31529(Substituted Benzamide Derivative, 47)copy SMILEScopy InChI
Affinity DataIC50: 4.80E+3nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31526(Substituted Benzamide Derivative, 33)copy SMILEScopy InChI
Affinity DataIC50: 5.20E+3nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31508(Substituted Benzamide Derivative, lead | med.21724...)copy SMILEScopy InChI
Affinity DataIC50: 8.70E+3nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31525(Substituted Benzamide Derivative, 29 | med.21724, ...)copy SMILEScopy InChI
Affinity DataIC50: 1.11E+4nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31514(Naphthyl and Benzamide Derivative, 5f)copy SMILEScopy InChI
Affinity DataIC50: 1.21E+4nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31512(Substituted Benzamide Derivative, 5d)copy SMILEScopy InChI
Affinity DataIC50: 1.35E+4nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31509(Substituted Benzamide Derivative, 5a)copy SMILEScopy InChI
Affinity DataIC50: 1.48E+4nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31521(Naphthalene and Benzamide Derivative, 21 | med.217...)copy SMILEScopy InChI
Affinity DataIC50: 2.26E+4nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31522(Naphthalene and Benzamide Derivative, 23)copy SMILEScopy InChI
Affinity DataIC50: 2.48E+4nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31510(Substituted Benzamide Derivative, 5b)copy SMILEScopy InChI
Affinity DataIC50: 2.91E+4nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31516(Naphthyl and Benzamide Derivative, 9)copy SMILEScopy InChI
Affinity DataIC50: 4.61E+4nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31511(Substituted Benzamide Derivative, 5c)copy SMILEScopy InChI
Affinity DataIC50: 9.00E+4nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31513(Substituted Benzamide Derivative, 5e)copy SMILEScopy InChI
Affinity DataIC50: 1.49E+5nMpH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM154573(8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...)copy SMILEScopy InChI
Affinity DataKd:  2.63E+4nMpH: 7.4Assay Description:Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2086426PubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM154575(3-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-o...)copy SMILEScopy InChI
Affinity DataKd:  3.14E+4nMpH: 7.4Assay Description:Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2086426PubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31517(Naphthyl and Benzamide Derivative, 8)copy SMILEScopy InChI
Affinity DatapH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31518(Naphthyl and Benzamide Derivative, 14 | racemic)copy SMILEScopy InChI
Affinity DatapH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31519(Naphthyl and Benzamide Derivative, 17 | racemic)copy SMILEScopy InChI
Affinity DatapH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed
TargetReplicase polyprotein 1ab [1541-1855](Human SARS coronavirus (SARS-CoV))
University of Illinois at Chicago

LigandPNGBDBM31515(Naphthyl and Benzamide Derivative, 5g)copy SMILEScopy InChI
Affinity DatapH: 7.5 T: 2°CAssay Description:IC50 values for all inhibitors were determined using a 96-well plate based assay. Reactions were performed in buffer containing RLRGG-AMC, 2% DMSO, a...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P8497ZPubMed