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PubMed code 34665619

Compile data set for download or QSAR
Found 189 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496864
PNG
(SARS-CoV-2 PLpro Inhibitor, 94)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@H]2CC[C@@H](O)C2)s1
Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22+,25-/m1/s1
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n/an/a 113n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496858
PNG
(SARS-CoV-2 PLpro Inhibitor, 88)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCC(O)C2)s1
Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22?,25?/m1/s1
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n/an/a 170n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496862
PNG
(SARS-CoV-2 PLpro Inhibitor, 92)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@@H]2CC[C@H](O)C2)s1
Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22-,25+/m1/s1
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n/an/a 210n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496865
PNG
(SARS-CoV-2 PLpro Inhibitor, 95)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@H]2CC[C@H](O)C2)s1
Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22+,25+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496856
PNG
(SARS-CoV-2 PLpro Inhibitor, 86)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@@H]2CCOC2)s1
Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(32-24-14-29-15-24)13-26(18)28(33)31-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)16-30-23-10-11-34-17-23/h3-9,12-13,19,23-24,29-30,32H,10-11,14-17H2,1-2H3,(H,31,33)/t19-,23-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496859
PNG
(SARS-CoV-2 PLpro Inhibitor, 89)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC(C)=O)s1
Show InChI InChI=1S/C26H30N4O2S/c1-16-7-8-21(30-22-13-27-14-22)12-24(16)26(32)29-17(2)19-5-4-6-20(11-19)25-10-9-23(33-25)15-28-18(3)31/h4-12,17,22,27,30H,13-15H2,1-3H3,(H,28,31)(H,29,32)/t17-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496842
PNG
(SARS-CoV-2 PLpro Inhibitor, 72)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCCC2)s1
Show InChI InChI=1S/C29H36N4OS/c1-19-10-11-24(33-25-16-30-17-25)15-27(19)29(34)32-20(2)21-6-5-7-22(14-21)28-13-12-26(35-28)18-31-23-8-3-4-9-23/h5-7,10-15,20,23,25,30-31,33H,3-4,8-9,16-18H2,1-2H3,(H,32,34)/t20-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496861
PNG
(SARS-CoV-2 PLpro Inhibitor, 91)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CNC(=O)C2)s1
Show InChI InChI=1S/C28H33N5O2S/c1-17-6-7-21(33-23-13-29-14-23)11-25(17)28(35)32-18(2)19-4-3-5-20(10-19)26-9-8-24(36-26)16-30-22-12-27(34)31-15-22/h3-11,18,22-23,29-30,33H,12-16H2,1-2H3,(H,31,34)(H,32,35)/t18-,22?/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496863
PNG
(SARS-CoV-2 PLpro Inhibitor, 93)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@@H]2CC[C@@H](O)C2)s1
Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22-,25-/m1/s1
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n/an/a 430n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496843
PNG
(SARS-CoV-2 PLpro Inhibitor, 73)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCCC2)s1
Show InChI InChI=1S/C28H34N4OS/c1-19-8-9-23(31-24-16-29-17-24)15-26(19)28(33)30-20(2)21-6-5-7-22(14-21)27-11-10-25(34-27)18-32-12-3-4-13-32/h5-11,14-15,20,24,29,31H,3-4,12-13,16-18H2,1-2H3,(H,30,33)/t20-/m1/s1
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n/an/a 560n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496835
PNG
(SARS-CoV-2 PLpro Inhibitor, 65)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1cccs1
Show InChI InChI=1S/C23H25N3OS/c1-15-8-9-19(26-20-13-24-14-20)12-21(15)23(27)25-16(2)17-5-3-6-18(11-17)22-7-4-10-28-22/h3-12,16,20,24,26H,13-14H2,1-2H3,(H,25,27)/t16-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496522
PNG
(SARS-CoV-2 PLpro Inhibitor, 6)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CCNCC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O/c1-17-10-11-21(28-20-12-14-26-15-13-20)16-24(17)25(29)27-18(2)22-9-5-7-19-6-3-4-8-23(19)22/h3-11,16,18,20,26,28H,12-15H2,1-2H3,(H,27,29)/t18-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496857
PNG
(SARS-CoV-2 PLpro Inhibitor, 87)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@H]2CCOC2)s1
Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(32-24-14-29-15-24)13-26(18)28(33)31-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)16-30-23-10-11-34-17-23/h3-9,12-13,19,23-24,29-30,32H,10-11,14-17H2,1-2H3,(H,31,33)/t19-,23+/m1/s1
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n/an/a 620n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496851
PNG
(SARS-CoV-2 PLpro Inhibitor, 81)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CC[C@@H](O)C2)s1
Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(31-23-14-29-15-23)13-26(18)28(34)30-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)17-32-11-10-24(33)16-32/h3-9,12-13,19,23-24,29,31,33H,10-11,14-17H2,1-2H3,(H,30,34)/t19-,24-/m1/s1
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n/an/a 640n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496860
PNG
(SARS-CoV-2 PLpro Inhibitor, 90)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCNC2=O)s1
Show InChI InChI=1S/C28H33N5O2S/c1-17-6-7-21(33-22-14-29-15-22)13-24(17)27(34)32-18(2)19-4-3-5-20(12-19)26-9-8-23(36-26)16-31-25-10-11-30-28(25)35/h3-9,12-13,18,22,25,29,31,33H,10-11,14-16H2,1-2H3,(H,30,35)(H,32,34)/t18-,25?/m1/s1
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n/an/a 640n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496555
PNG
(SARS-CoV-2 PLpro Inhibitor, 9)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CCN(C)CC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C26H31N3O/c1-18-11-12-22(28-21-13-15-29(3)16-14-21)17-25(18)26(30)27-19(2)23-10-6-8-20-7-4-5-9-24(20)23/h4-12,17,19,21,28H,13-16H2,1-3H3,(H,27,30)/t19-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496854
PNG
(SARS-CoV-2 PLpro Inhibitor, 84)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CC[C@H](O)C2)s1
Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(31-23-14-29-15-23)13-26(18)28(34)30-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)17-32-11-10-24(33)16-32/h3-9,12-13,19,23-24,29,31,33H,10-11,14-17H2,1-2H3,(H,30,34)/t19-,24+/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496844
PNG
(SARS-CoV-2 PLpro Inhibitor, 74)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(C)s1
Show InChI InChI=1S/C24H27N3OS/c1-15-7-9-20(27-21-13-25-14-21)12-22(15)24(28)26-17(3)18-5-4-6-19(11-18)23-10-8-16(2)29-23/h4-12,17,21,25,27H,13-14H2,1-3H3,(H,26,28)/t17-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496847
PNG
(SARS-CoV-2 PLpro Inhibitor, 77 | SARS-CoV-2 PLpro ...)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(=O)NC[C@H]1CCCO1
Show InChI InChI=1S/C29H34N4O3S/c1-18-8-9-22(33-23-15-30-16-23)14-25(18)28(34)32-19(2)20-5-3-6-21(13-20)26-10-11-27(37-26)29(35)31-17-24-7-4-12-36-24/h3,5-6,8-11,13-14,19,23-24,30,33H,4,7,12,15-17H2,1-2H3,(H,31,35)(H,32,34)/t19-,24-/m1/s1
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n/an/a 760n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496797
PNG
(SARS-CoV-2 PLpro Inhibitor, 27)
Show SMILES C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1cccc2ccccc12
Show InChI InChI=1S/C21H18N2O/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)23-21(24)17-10-9-16-11-12-22-20(16)13-17/h2-14,22H,1H3,(H,23,24)/t14-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496554
PNG
(SARS-CoV-2 PLpro Inhibitor, 8)
Show SMILES C[C@@H](NC(=O)c1cc(NC(=O)C2CCNCC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O2/c1-17-10-11-21(29-25(30)20-12-14-27-15-13-20)16-24(17)26(31)28-18(2)22-9-5-7-19-6-3-4-8-23(19)22/h3-11,16,18,20,27H,12-15H2,1-2H3,(H,28,31)(H,29,30)/t18-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496846
PNG
(SARS-CoV-2 PLpro Inhibitor, 76)
Show SMILES COC(=O)c1ccc(s1)-c1cccc(c1)[C@@H](C)NC(=O)c1cc(NC2CNC2)ccc1C
Show InChI InChI=1S/C25H27N3O3S/c1-15-7-8-19(28-20-13-26-14-20)12-21(15)24(29)27-16(2)17-5-4-6-18(11-17)22-9-10-23(32-22)25(30)31-3/h4-12,16,20,26,28H,13-14H2,1-3H3,(H,27,29)/t16-/m1/s1
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n/an/a 810n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496866
PNG
(SARS-CoV-2 PLpro Inhibitor, 96)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc(c1)-c1ccc(CNC(=O)OC(C)(C)C)s1
Show InChI InChI=1S/C26H31N3O3S/c1-16-9-10-20(27)14-22(16)24(30)29-17(2)18-7-6-8-19(13-18)23-12-11-21(33-23)15-28-25(31)32-26(3,4)5/h6-14,17H,15,27H2,1-5H3,(H,28,31)(H,29,30)/t17-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496850
PNG
(SARS-CoV-2 PLpro Inhibitor, 80)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(=O)NCC1CCO1
Show InChI InChI=1S/C28H32N4O3S/c1-17-6-7-21(32-22-14-29-15-22)13-24(17)27(33)31-18(2)19-4-3-5-20(12-19)25-8-9-26(36-25)28(34)30-16-23-10-11-35-23/h3-9,12-13,18,22-23,29,32H,10-11,14-16H2,1-2H3,(H,30,34)(H,31,33)/t18-,23?/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496839
PNG
(SARS-CoV-2 PLpro Inhibitor, 69)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCOCC2)s1
Show InChI InChI=1S/C28H34N4O2S/c1-19-6-7-23(31-24-16-29-17-24)15-26(19)28(33)30-20(2)21-4-3-5-22(14-21)27-9-8-25(35-27)18-32-10-12-34-13-11-32/h3-9,14-15,20,24,29,31H,10-13,16-18H2,1-2H3,(H,30,33)/t20-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496847
PNG
(SARS-CoV-2 PLpro Inhibitor, 77 | SARS-CoV-2 PLpro ...)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(=O)NC[C@H]1CCCO1
Show InChI InChI=1S/C29H34N4O3S/c1-18-8-9-22(33-23-15-30-16-23)14-25(18)28(34)32-19(2)20-5-3-6-21(13-20)26-10-11-27(37-26)29(35)31-17-24-7-4-12-36-24/h3,5-6,8-11,13-14,19,23-24,30,33H,4,7,12,15-17H2,1-2H3,(H,31,35)(H,32,34)/t19-,24-/m1/s1
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n/an/a 920n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496845
PNG
(SARS-CoV-2 PLpro Inhibitor, 75)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(O)=O
Show InChI InChI=1S/C24H25N3O3S/c1-14-6-7-18(27-19-12-25-13-19)11-20(14)23(28)26-15(2)16-4-3-5-17(10-16)21-8-9-22(31-21)24(29)30/h3-11,15,19,25,27H,12-13H2,1-2H3,(H,26,28)(H,29,30)/t15-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496476
PNG
(SARS-CoV-2 PLpro Inhibitor, 5)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C23H25N3O/c1-15-10-11-18(26-19-13-24-14-19)12-22(15)23(27)25-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,19,24,26H,13-14H2,1-2H3,(H,25,27)/t16-/m1/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496849
PNG
(SARS-CoV-2 PLpro Inhibitor, 79)
Show SMILES CNC(=O)c1ccc(s1)-c1cccc(c1)[C@@H](C)NC(=O)c1cc(NC2CNC2)ccc1C
Show InChI InChI=1S/C25H28N4O2S/c1-15-7-8-19(29-20-13-27-14-20)12-21(15)24(30)28-16(2)17-5-4-6-18(11-17)22-9-10-23(32-22)25(31)26-3/h4-12,16,20,27,29H,13-14H2,1-3H3,(H,26,31)(H,28,30)/t16-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496852
PNG
(SARS-CoV-2 PLpro Inhibitor, 82)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CC[C@@H](C)C2)s1
Show InChI InChI=1S/C29H36N4OS/c1-19-11-12-33(17-19)18-26-9-10-28(35-26)23-6-4-5-22(13-23)21(3)31-29(34)27-14-24(8-7-20(27)2)32-25-15-30-16-25/h4-10,13-14,19,21,25,30,32H,11-12,15-18H2,1-3H3,(H,31,34)/t19-,21-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496868
PNG
(SARS-CoV-2 PLpro Inhibitor, 98)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc(c1)-c1ccc(CNC(=O)C2CCCC2)s1
Show InChI InChI=1S/C27H31N3O2S/c1-17-10-11-22(28)15-24(17)27(32)30-18(2)20-8-5-9-21(14-20)25-13-12-23(33-25)16-29-26(31)19-6-3-4-7-19/h5,8-15,18-19H,3-4,6-7,16,28H2,1-2H3,(H,29,31)(H,30,32)/t18-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496272
PNG
(SARS-CoV-2 PLpro Inhibitor, 2)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CCN(CC2)C(=O)OC(C)(C)C)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C30H37N3O3/c1-20-13-14-24(32-23-15-17-33(18-16-23)29(35)36-30(3,4)5)19-27(20)28(34)31-21(2)25-12-8-10-22-9-6-7-11-26(22)25/h6-14,19,21,23,32H,15-18H2,1-5H3,(H,31,34)/t21-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496838
PNG
(SARS-CoV-2 PLpro Inhibitor, 68)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCNCC2)s1
Show InChI InChI=1S/C28H35N5OS/c1-19-6-7-23(32-24-16-30-17-24)15-26(19)28(34)31-20(2)21-4-3-5-22(14-21)27-9-8-25(35-27)18-33-12-10-29-11-13-33/h3-9,14-15,20,24,29-30,32H,10-13,16-18H2,1-2H3,(H,31,34)/t20-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496553
PNG
(SARS-CoV-2 PLpro Inhibitor, 7)
Show SMILES C[C@@H](NC(=O)c1cc(NC(=O)C2CNC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c1-15-10-11-19(27-23(28)18-13-25-14-18)12-22(15)24(29)26-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,18,25H,13-14H2,1-2H3,(H,26,29)(H,27,28)/t16-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496836
PNG
(SARS-CoV-2 PLpro Inhibitor, 66)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C23H25N3OS/c1-15-6-7-20(26-21-12-24-13-21)11-22(15)23(27)25-16(2)17-4-3-5-18(10-17)19-8-9-28-14-19/h3-11,14,16,21,24,26H,12-13H2,1-2H3,(H,25,27)/t16-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496607
PNG
(SARS-CoV-2 PLpro Inhibitor, 14)
Show SMILES C[C@@H](NC(=O)c1cc(CNC2CNC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O/c1-16-10-11-18(13-26-20-14-25-15-20)12-23(16)24(28)27-17(2)21-9-5-7-19-6-3-4-8-22(19)21/h3-12,17,20,25-26H,13-15H2,1-2H3,(H,27,28)/t17-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496870
PNG
(SARS-CoV-2 PLpro Inhibitor, 100)
Show SMILES C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc(c1)-c1ccc(CN[C@H]2CC[C@@H](O)C2)s1
Show InChI InChI=1S/C28H33N3O3S/c1-17-7-8-23(31-19(3)32)15-26(17)28(34)30-18(2)20-5-4-6-21(13-20)27-12-11-25(35-27)16-29-22-9-10-24(33)14-22/h4-8,11-13,15,18,22,24,29,33H,9-10,14,16H2,1-3H3,(H,30,34)(H,31,32)/t18-,22+,24-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496840
PNG
(SARS-CoV-2 PLpro Inhibitor, 70)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCN(C)CC2)s1
Show InChI InChI=1S/C30H39N5OS/c1-20-7-8-25(34-26-17-31-18-26)16-28(20)30(36)33-21(2)22-5-4-6-23(15-22)29-10-9-27(37-29)19-32-24-11-13-35(3)14-12-24/h4-10,15-16,21,24,26,31-32,34H,11-14,17-19H2,1-3H3,(H,33,36)/t21-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496828
PNG
(SARS-CoV-2 PLpro Inhibitor, 58)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C26H28N4O/c1-16-11-12-18(30(3)19-14-27-15-19)13-22(16)26(31)28-17(2)20-8-6-10-24-25(20)21-7-4-5-9-23(21)29-24/h4-13,17,19,27,29H,14-15H2,1-3H3,(H,28,31)/t17-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496557
PNG
(SARS-CoV-2 PLpro Inhibitor, 10)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CN(C)C1)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O/c1-17-12-13-20(28(4)21-15-27(3)16-21)14-24(17)25(29)26-18(2)22-11-7-9-19-8-5-6-10-23(19)22/h5-14,18,21H,15-16H2,1-4H3,(H,26,29)/t18-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM31524
PNG
(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496837
PNG
(SARS-CoV-2 PLpro Inhibitor, 67)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1cc[nH]c1
Show InChI InChI=1S/C23H26N4O/c1-15-6-7-20(27-21-13-25-14-21)11-22(15)23(28)26-16(2)17-4-3-5-18(10-17)19-8-9-24-12-19/h3-12,16,21,24-25,27H,13-14H2,1-2H3,(H,26,28)/t16-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496830
PNG
(SARS-CoV-2 PLpro Inhibitor, 60)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C25H26N4O/c1-15-10-11-17(28-18-13-26-14-18)12-21(15)25(30)27-16(2)19-7-5-9-23-24(19)20-6-3-4-8-22(20)29-23/h3-12,16,18,26,28-29H,13-14H2,1-2H3,(H,27,30)/t16-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496867
PNG
(SARS-CoV-2 PLpro Inhibitor, 97)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc(c1)-c1ccc(CN)s1
Show InChI InChI=1S/C21H23N3OS/c1-13-6-7-17(23)11-19(13)21(25)24-14(2)15-4-3-5-16(10-15)20-9-8-18(12-22)26-20/h3-11,14H,12,22-23H2,1-2H3,(H,24,25)/t14-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496829
PNG
(SARS-CoV-2 PLpro Inhibitor, 59)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1csc2ccccc12
Show InChI InChI=1S/C21H23N3OS/c1-13-7-8-15(24-16-10-22-11-16)9-18(13)21(25)23-14(2)19-12-26-20-6-4-3-5-17(19)20/h3-9,12,14,16,22,24H,10-11H2,1-2H3,(H,23,25)/t14-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496853
PNG
(SARS-CoV-2 PLpro Inhibitor, 83)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCC2)s1
Show InChI InChI=1S/C27H32N4OS/c1-18-7-8-22(30-23-15-28-16-23)14-25(18)27(32)29-19(2)20-5-3-6-21(13-20)26-10-9-24(33-26)17-31-11-4-12-31/h3,5-10,13-14,19,23,28,30H,4,11-12,15-17H2,1-2H3,(H,29,32)/t19-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496869
PNG
(SARS-CoV-2 PLpro Inhibitor, 99)
Show SMILES C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc(c1)-c1ccc(CNC(C)=O)s1
Show InChI InChI=1S/C25H27N3O3S/c1-15-8-9-21(28-18(4)30)13-23(15)25(31)27-16(2)19-6-5-7-20(12-19)24-11-10-22(32-24)14-26-17(3)29/h5-13,16H,14H2,1-4H3,(H,26,29)(H,27,31)(H,28,30)/t16-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496585
PNG
(SARS-CoV-2 PLpro Inhibitor, 12)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O/c1-16-11-12-19(27(3)20-14-25-15-20)13-23(16)24(28)26-17(2)21-10-6-8-18-7-4-5-9-22(18)21/h4-13,17,20,25H,14-15H2,1-3H3,(H,26,28)/t17-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496825
PNG
(SARS-CoV-2 PLpro Inhibitor, 55)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1csc2ccccc12
Show InChI InChI=1S/C22H25N3OS/c1-14-8-9-16(25(3)17-11-23-12-17)10-19(14)22(26)24-15(2)20-13-27-21-7-5-4-6-18(20)21/h4-10,13,15,17,23H,11-12H2,1-3H3,(H,24,26)/t15-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496841
PNG
(SARS-CoV-2 PLpro Inhibitor, 71)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNCC2CCNCC2)s1
Show InChI InChI=1S/C30H39N5OS/c1-20-6-7-25(35-26-17-33-18-26)15-28(20)30(36)34-21(2)23-4-3-5-24(14-23)29-9-8-27(37-29)19-32-16-22-10-12-31-13-11-22/h3-9,14-15,21-22,26,31-33,35H,10-13,16-19H2,1-2H3,(H,34,36)/t21-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496834
PNG
(SARS-CoV-2 PLpro Inhibitor, 64)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1Cl)c1cccc(c1)-c1cccs1
Show InChI InChI=1S/C22H22ClN3OS/c1-14(15-4-2-5-16(10-15)21-6-3-9-28-21)25-22(27)19-11-17(7-8-20(19)23)26-18-12-24-13-18/h2-11,14,18,24,26H,12-13H2,1H3,(H,25,27)/t14-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496685
PNG
(SARS-CoV-2 PLpro Inhibitor, 15)
Show SMILES C[C@@H](NC(=O)c1cc(CN2CC(C2)C(O)=O)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c1-16-10-11-18(13-27-14-20(15-27)25(29)30)12-23(16)24(28)26-17(2)21-9-5-7-19-6-3-4-8-22(19)21/h3-12,17,20H,13-15H2,1-2H3,(H,26,28)(H,29,30)/t17-/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496815
PNG
(SARS-CoV-2 PLpro Inhibitor, 45)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1csc2ccccc12
Show InChI InChI=1S/C18H18N2OS/c1-11-7-8-13(19)9-15(11)18(21)20-12(2)16-10-22-17-6-4-3-5-14(16)17/h3-10,12H,19H2,1-2H3,(H,20,21)/t12-/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496824
PNG
(SARS-CoV-2 PLpro Inhibitor, 54)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1cccc2n(CC3CCC3)ccc12
Show InChI InChI=1S/C27H34N4O/c1-18-10-11-21(30(3)22-15-28-16-22)14-25(18)27(32)29-19(2)23-8-5-9-26-24(23)12-13-31(26)17-20-6-4-7-20/h5,8-14,19-20,22,28H,4,6-7,15-17H2,1-3H3,(H,29,32)/t19-/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496586
PNG
(SARS-CoV-2 PLpro Inhibitor, 13)
Show SMILES C[C@@H](NC(=O)c1cc(CNCC(O)=O)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N2O3/c1-15-10-11-17(13-24-14-22(26)27)12-21(15)23(28)25-16(2)19-9-5-7-18-6-3-4-8-20(18)19/h3-12,16,24H,13-14H2,1-2H3,(H,25,28)(H,26,27)/t16-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496803
PNG
(SARS-CoV-2 PLpro Inhibitor, 33)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1Cl)c1cccc2ccccc12
Show InChI InChI=1S/C22H22ClN3O/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)25-22(27)20-11-16(9-10-21(20)23)26-17-12-24-13-17/h2-11,14,17,24,26H,12-13H2,1H3,(H,25,27)/t14-/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496558
PNG
(SARS-CoV-2 PLpro Inhibitor, 11)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CN(C)C2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O/c1-16-11-12-19(26-20-14-27(3)15-20)13-23(16)24(28)25-17(2)21-10-6-8-18-7-4-5-9-22(18)21/h4-13,17,20,26H,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496818
PNG
(SARS-CoV-2 PLpro Inhibitor, 48)
Show SMILES CC(NC(=O)c1cc(N)ccc1C)c1cccc2cc[nH]c12
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496768
PNG
(SARS-CoV-2 PLpro Inhibitor, 20)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1Cl)c1cccc2ccccc12
Show InChI InChI=1S/C19H17ClN2O/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)22-19(23)17-11-14(21)9-10-18(17)20/h2-12H,21H2,1H3,(H,22,23)/t12-/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496368
PNG
(SARS-CoV-2 PLpro Inhibitor, 3)
Show SMILES C[C@@H](NC(=O)c1cc(NC(=O)C2CN(C2)C(=O)OC(C)(C)C)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C29H33N3O4/c1-18-13-14-22(31-26(33)21-16-32(17-21)28(35)36-29(3,4)5)15-25(18)27(34)30-19(2)23-12-8-10-20-9-6-7-11-24(20)23/h6-15,19,21H,16-17H2,1-5H3,(H,30,34)(H,31,33)/t19-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496822
PNG
(SARS-CoV-2 PLpro Inhibitor, 52)
Show SMILES CC(NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1cccc2cc[nH]c12
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496444
PNG
(SARS-CoV-2 PLpro Inhibitor, 4)
Show SMILES C[C@@H](NC(=O)c1cc(NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C31H37N3O4/c1-20-13-14-24(33-28(35)23-15-17-34(18-16-23)30(37)38-31(3,4)5)19-27(20)29(36)32-21(2)25-12-8-10-22-9-6-7-11-26(22)25/h6-14,19,21,23H,15-18H2,1-5H3,(H,32,36)(H,33,35)/t21-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496267
PNG
(SARS-CoV-2 PLpro Inhibitor, 101)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CN(C2)C(=O)OC(C)(C)C)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C28H33N3O3/c1-18-13-14-21(30-22-16-31(17-22)27(33)34-28(3,4)5)15-25(18)26(32)29-19(2)23-12-8-10-20-9-6-7-11-24(20)23/h6-15,19,22,30H,16-17H2,1-5H3,(H,29,32)/t19-/m1/s1
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n/an/a 6.08E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496719
PNG
(SARS-CoV-2 PLpro Inhibitor, 16)
Show SMILES C[C@@H](NC(=O)c1cc(CN2CCC(CC2)C(O)=O)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C27H30N2O3/c1-18-10-11-20(17-29-14-12-22(13-15-29)27(31)32)16-25(18)26(30)28-19(2)23-9-5-7-21-6-3-4-8-24(21)23/h3-11,16,19,22H,12-15,17H2,1-2H3,(H,28,30)(H,31,32)/t19-/m1/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496798
PNG
(SARS-CoV-2 PLpro Inhibitor, 28)
Show SMILES C[C@@H](NC(=O)c1c(C)ccc2[nH]ccc12)c1cccc2ccccc12
Show InChI InChI=1S/C22H20N2O/c1-14-10-11-20-19(12-13-23-20)21(14)22(25)24-15(2)17-9-5-7-16-6-3-4-8-18(16)17/h3-13,15,23H,1-2H3,(H,24,25)/t15-/m1/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496799
PNG
(SARS-CoV-2 PLpro Inhibitor, 29)
Show SMILES C[C@@H](NC(=O)c1c(C)ccc2n(CC3CNC3)ccc12)c1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O/c1-17-10-11-24-23(12-13-29(24)16-19-14-27-15-19)25(17)26(30)28-18(2)21-9-5-7-20-6-3-4-8-22(20)21/h3-13,18-19,27H,14-16H2,1-2H3,(H,28,30)/t18-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496855
PNG
(SARS-CoV-2 PLpro Inhibitor, 85)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(Br)c1
Show InChI InChI=1S/C19H22BrN3O/c1-12-6-7-16(23-17-10-21-11-17)9-18(12)19(24)22-13(2)14-4-3-5-15(20)8-14/h3-9,13,17,21,23H,10-11H2,1-2H3,(H,22,24)/t13-/m1/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496823
PNG
(SARS-CoV-2 PLpro Inhibitor, 53)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1ccc2sccc2c1
Show InChI InChI=1S/C22H25N3OS/c1-14-4-6-18(25(3)19-12-23-13-19)11-20(14)22(26)24-15(2)16-5-7-21-17(10-16)8-9-27-21/h4-11,15,19,23H,12-13H2,1-3H3,(H,24,26)/t15-/m1/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496794
PNG
(SARS-CoV-2 PLpro Inhibitor, 24)
Show SMILES C[C@@H](NC(=O)c1cc(N)ncc1Br)c1cccc2ccccc12
Show InChI InChI=1S/C18H16BrN3O/c1-11(13-8-4-6-12-5-2-3-7-14(12)13)22-18(23)15-9-17(20)21-10-16(15)19/h2-11H,1H3,(H2,20,21)(H,22,23)/t11-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496801
PNG
(SARS-CoV-2 PLpro Inhibitor, 31)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ncc1C)c1cccc2ccccc12
Show InChI InChI=1S/C22H24N4O/c1-14-11-24-21(26-17-12-23-13-17)10-20(14)22(27)25-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-11,15,17,23H,12-13H2,1-2H3,(H,24,26)(H,25,27)/t15-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496826
PNG
(SARS-CoV-2 PLpro Inhibitor, 56)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1Cl)c1csc2ccccc12
Show InChI InChI=1S/C20H20ClN3OS/c1-12(17-11-26-19-5-3-2-4-15(17)19)23-20(25)16-8-13(6-7-18(16)21)24-14-9-22-10-14/h2-8,11-12,14,22,24H,9-10H2,1H3,(H,23,25)/t12-/m1/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496816
PNG
(SARS-CoV-2 PLpro Inhibitor, 46)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cn(C)c2ccccc12
Show InChI InChI=1S/C19H21N3O/c1-12-8-9-14(20)10-16(12)19(23)21-13(2)17-11-22(3)18-7-5-4-6-15(17)18/h4-11,13H,20H2,1-3H3,(H,21,23)/t13-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496810
PNG
(SARS-CoV-2 PLpro Inhibitor, 40)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1c(OC2CNC2)ccc2ccccc12
Show InChI InChI=1S/C27H32N4O2/c1-17-8-10-20(31(3)21-13-28-14-21)12-24(17)27(32)30-18(2)26-23-7-5-4-6-19(23)9-11-25(26)33-22-15-29-16-22/h4-12,18,21-22,28-29H,13-16H2,1-3H3,(H,30,32)/t18-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496817
PNG
(SARS-CoV-2 PLpro Inhibitor, 47)
Show SMILES CC(NC(=O)c1cc(ccc1C)[N+]([O-])=O)c1cccc2cc[nH]c12
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496792
PNG
(SARS-CoV-2 PLpro Inhibitor, 22)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C=C)c1cccc2ccccc12
Show InChI InChI=1S/C21H20N2O/c1-3-15-11-12-17(22)13-20(15)21(24)23-14(2)18-10-6-8-16-7-4-5-9-19(16)18/h3-14H,1,22H2,2H3,(H,23,24)/t14-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496808
PNG
(SARS-CoV-2 PLpro Inhibitor, 38)
Show SMILES CC[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O/c1-4-24(22-11-7-9-18-8-5-6-10-21(18)22)27-25(29)23-14-19(13-12-17(23)2)28(3)20-15-26-16-20/h5-14,20,24,26H,4,15-16H2,1-3H3,(H,27,29)/t24-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496791
PNG
(SARS-CoV-2 PLpro Inhibitor, 21)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C20H17F3N2O/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)25-19(26)17-11-14(24)9-10-18(17)20(21,22)23/h2-12H,24H2,1H3,(H,25,26)/t12-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496796
PNG
(SARS-CoV-2 PLpro Inhibitor, 26)
Show SMILES C[C@@H](NC(=O)c1cccc2[nH]ccc12)c1cccc2ccccc12
Show InChI InChI=1S/C21H18N2O/c1-14(16-9-4-7-15-6-2-3-8-17(15)16)23-21(24)19-10-5-11-20-18(19)12-13-22-20/h2-14,22H,1H3,(H,23,24)/t14-/m1/s1
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University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496804
PNG
(SARS-CoV-2 PLpro Inhibitor, 34)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1Cl)N(C)C1CNC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H24ClN3O/c1-15(19-9-5-7-16-6-3-4-8-20(16)19)26-23(28)21-12-17(10-11-22(21)24)27(2)18-13-25-14-18/h3-12,15,18,25H,13-14H2,1-2H3,(H,26,28)/t15-/m1/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496827
PNG
(SARS-CoV-2 PLpro Inhibitor, 57)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1Cl)N(C)C1CNC1)c1csc2ccccc12
Show InChI InChI=1S/C21H22ClN3OS/c1-13(18-12-27-20-6-4-3-5-16(18)20)24-21(26)17-9-14(7-8-19(17)22)25(2)15-10-23-11-15/h3-9,12-13,15,23H,10-11H2,1-2H3,(H,24,26)/t13-/m1/s1
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n/an/a 1.09E+4n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496793
PNG
(SARS-CoV-2 PLpro Inhibitor, 23)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1Br)c1cccc2ccccc12
Show InChI InChI=1S/C19H17BrN2O/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)22-19(23)17-11-14(21)9-10-18(17)20/h2-12H,21H2,1H3,(H,22,23)/t12-/m1/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496833
PNG
(SARS-CoV-2 PLpro Inhibitor, 63)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1ccccc1-c1cccs1
Show InChI InChI=1S/C24H27N3OS/c1-16-10-11-18(27(3)19-14-25-15-19)13-22(16)24(28)26-17(2)20-7-4-5-8-21(20)23-9-6-12-29-23/h4-13,17,19,25H,14-15H2,1-3H3,(H,26,28)/t17-/m1/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496831
PNG
(SARS-CoV-2 PLpro Inhibitor, 61)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1nccc2ccccc12
Show InChI InChI=1S/C23H26N4O/c1-15-8-9-18(27(3)19-13-24-14-19)12-21(15)23(28)26-16(2)22-20-7-5-4-6-17(20)10-11-25-22/h4-12,16,19,24H,13-14H2,1-3H3,(H,26,28)/t16-/m1/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496812
PNG
(SARS-CoV-2 PLpro Inhibitor, 42)
Show SMILES CN(C1CNC1)c1ccc(C)c(c1)C(=O)NC(CO)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O2/c1-16-10-11-18(27(2)19-13-25-14-19)12-22(16)24(29)26-23(15-28)21-9-5-7-17-6-3-4-8-20(17)21/h3-12,19,23,25,28H,13-15H2,1-2H3,(H,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496721
PNG
(SARS-CoV-2 PLpro Inhibitor, 18)
Show SMILES C[C@@H](NS(=O)(=O)c1cc(N)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c1-13-10-11-16(20)12-19(13)24(22,23)21-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14,21H,20H2,1-2H3/t14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496820
PNG
(SARS-CoV-2 PLpro Inhibitor, 50)
Show SMILES CC(NC(=O)c1cc(N)ccc1C)c1cccc2ccn(C)c12
Show InChI InChI=1S/C19H21N3O/c1-12-7-8-15(20)11-17(12)19(23)21-13(2)16-6-4-5-14-9-10-22(3)18(14)16/h4-11,13H,20H2,1-3H3,(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496720
PNG
(SARS-CoV-2 PLpro Inhibitor, 17)
Show SMILES C[C@@H](NCc1cccc(N)c1)c1cccc2ccccc12
Show InChI InChI=1S/C19H20N2/c1-14(21-13-15-6-4-9-17(20)12-15)18-11-5-8-16-7-2-3-10-19(16)18/h2-12,14,21H,13,20H2,1H3/t14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496722
PNG
(SARS-CoV-2 PLpro Inhibitor, 19)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1F)c1cccc2ccccc12
Show InChI InChI=1S/C19H17FN2O/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)22-19(23)17-11-14(21)9-10-18(17)20/h2-12H,21H2,1H3,(H,22,23)/t12-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496795
PNG
(SARS-CoV-2 PLpro Inhibitor, 25)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C21H18N2O/c1-14(16-11-6-8-15-7-2-3-9-17(15)16)23-21(24)19-13-22-20-12-5-4-10-18(19)20/h2-14,22H,1H3,(H,23,24)/t14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496809
PNG
(SARS-CoV-2 PLpro Inhibitor, 39)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1c(O)ccc2ccccc12
Show InChI InChI=1S/C24H27N3O2/c1-15-8-10-18(27(3)19-13-25-14-19)12-21(15)24(29)26-16(2)23-20-7-5-4-6-17(20)9-11-22(23)28/h4-12,16,19,25,28H,13-14H2,1-3H3,(H,26,29)/t16-/m1/s1
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n/an/a<1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496806
PNG
(SARS-CoV-2 PLpro Inhibitor, 36)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1c(O)ccc2ccccc12
Show InChI InChI=1S/C20H20N2O2/c1-12-7-9-15(21)11-17(12)20(24)22-13(2)19-16-6-4-3-5-14(16)8-10-18(19)23/h3-11,13,23H,21H2,1-2H3,(H,22,24)/t13-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496810
PNG
(SARS-CoV-2 PLpro Inhibitor, 40)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1c(OC2CNC2)ccc2ccccc12
Show InChI InChI=1S/C27H32N4O2/c1-17-8-10-20(31(3)21-13-28-14-21)12-24(17)27(32)30-18(2)26-23-7-5-4-6-19(23)9-11-25(26)33-22-15-29-16-22/h4-12,18,21-22,28-29H,13-16H2,1-3H3,(H,30,32)/t18-/m1/s1
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n/an/an/a 5.46E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496813
PNG
(SARS-CoV-2 PLpro Inhibitor, 43)
Show SMILES CN(C)C(=O)C[C@@H](NC(=O)c1cccc(c1)N(C)C1CNC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H30N4O2/c1-29(2)25(31)15-24(23-13-7-9-18-8-4-5-12-22(18)23)28-26(32)19-10-6-11-20(14-19)30(3)21-16-27-17-21/h4-14,21,24,27H,15-17H2,1-3H3,(H,28,32)/t24-/m1/s1
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n/an/an/a>1.00E+6n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496837
PNG
(SARS-CoV-2 PLpro Inhibitor, 67)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1cc[nH]c1
Show InChI InChI=1S/C23H26N4O/c1-15-6-7-20(27-21-13-25-14-21)11-22(15)23(28)26-16(2)17-4-3-5-18(10-17)19-8-9-24-12-19/h3-12,16,21,24-25,27H,13-14H2,1-2H3,(H,26,28)/t16-/m1/s1
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n/an/an/a 2.89E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496838
PNG
(SARS-CoV-2 PLpro Inhibitor, 68)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCNCC2)s1
Show InChI InChI=1S/C28H35N5OS/c1-19-6-7-23(32-24-16-30-17-24)15-26(19)28(34)31-20(2)21-4-3-5-22(14-21)27-9-8-25(35-27)18-33-12-10-29-11-13-33/h3-9,14-15,20,24,29-30,32H,10-13,16-18H2,1-2H3,(H,31,34)/t20-/m1/s1
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n/an/an/a 846n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496844
PNG
(SARS-CoV-2 PLpro Inhibitor, 74)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(C)s1
Show InChI InChI=1S/C24H27N3OS/c1-15-7-9-20(27-21-13-25-14-21)12-22(15)24(28)26-17(3)18-5-4-6-19(11-18)23-10-8-16(2)29-23/h4-12,17,21,25,27H,13-14H2,1-3H3,(H,26,28)/t17-/m1/s1
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n/an/an/a 1.15E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496847
PNG
(SARS-CoV-2 PLpro Inhibitor, 77 | SARS-CoV-2 PLpro ...)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(=O)NC[C@H]1CCCO1
Show InChI InChI=1S/C29H34N4O3S/c1-18-8-9-22(33-23-15-30-16-23)14-25(18)28(34)32-19(2)20-5-3-6-21(13-20)26-10-11-27(37-26)29(35)31-17-24-7-4-12-36-24/h3,5-6,8-11,13-14,19,23-24,30,33H,4,7,12,15-17H2,1-2H3,(H,31,35)(H,32,34)/t19-,24-/m1/s1
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n/an/an/a 1.79E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496856
PNG
(SARS-CoV-2 PLpro Inhibitor, 86)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@@H]2CCOC2)s1
Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(32-24-14-29-15-24)13-26(18)28(33)31-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)16-30-23-10-11-34-17-23/h3-9,12-13,19,23-24,29-30,32H,10-11,14-17H2,1-2H3,(H,31,33)/t19-,23-/m1/s1
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n/an/an/a 1.05E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496866
PNG
(SARS-CoV-2 PLpro Inhibitor, 96)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc(c1)-c1ccc(CNC(=O)OC(C)(C)C)s1
Show InChI InChI=1S/C26H31N3O3S/c1-16-9-10-20(27)14-22(16)24(30)29-17(2)18-7-6-8-19(13-18)23-12-11-21(33-23)15-28-25(31)32-26(3,4)5/h6-14,17H,15,27H2,1-5H3,(H,28,31)(H,29,30)/t17-/m1/s1
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n/an/an/a 5.33E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496868
PNG
(SARS-CoV-2 PLpro Inhibitor, 98)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc(c1)-c1ccc(CNC(=O)C2CCCC2)s1
Show InChI InChI=1S/C27H31N3O2S/c1-17-10-11-22(28)15-24(17)27(32)30-18(2)20-8-5-9-21(14-20)25-13-12-23(33-25)16-29-26(31)19-6-3-4-7-19/h5,8-15,18-19H,3-4,6-7,16,28H2,1-2H3,(H,29,31)(H,30,32)/t18-/m1/s1
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n/an/an/a 2.40E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496869
PNG
(SARS-CoV-2 PLpro Inhibitor, 99)
Show SMILES C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc(c1)-c1ccc(CNC(C)=O)s1
Show InChI InChI=1S/C25H27N3O3S/c1-15-8-9-21(28-18(4)30)13-23(15)25(31)27-16(2)19-6-5-7-20(12-19)24-11-10-22(32-24)14-26-17(3)29/h5-13,16H,14H2,1-4H3,(H,26,29)(H,27,31)(H,28,30)/t16-/m1/s1
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n/an/an/a 3.33E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496272
PNG
(SARS-CoV-2 PLpro Inhibitor, 2)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CCN(CC2)C(=O)OC(C)(C)C)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C30H37N3O3/c1-20-13-14-24(32-23-15-17-33(18-16-23)29(35)36-30(3,4)5)19-27(20)28(34)31-21(2)25-12-8-10-22-9-6-7-11-26(22)25/h6-14,19,21,23,32H,15-18H2,1-5H3,(H,31,34)/t21-/m1/s1
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n/an/an/a 4.70E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496368
PNG
(SARS-CoV-2 PLpro Inhibitor, 3)
Show SMILES C[C@@H](NC(=O)c1cc(NC(=O)C2CN(C2)C(=O)OC(C)(C)C)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C29H33N3O4/c1-18-13-14-22(31-26(33)21-16-32(17-21)28(35)36-29(3,4)5)15-25(18)27(34)30-19(2)23-12-8-10-20-9-6-7-11-24(20)23/h6-15,19,21H,16-17H2,1-5H3,(H,30,34)(H,31,33)/t19-/m1/s1
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n/an/an/a 3.26E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496553
PNG
(SARS-CoV-2 PLpro Inhibitor, 7)
Show SMILES C[C@@H](NC(=O)c1cc(NC(=O)C2CNC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C24H25N3O2/c1-15-10-11-19(27-23(28)18-13-25-14-18)12-22(15)24(29)26-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,18,25H,13-14H2,1-2H3,(H,26,29)(H,27,28)/t16-/m1/s1
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n/an/an/a 3.10E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496554
PNG
(SARS-CoV-2 PLpro Inhibitor, 8)
Show SMILES C[C@@H](NC(=O)c1cc(NC(=O)C2CCNCC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O2/c1-17-10-11-21(29-25(30)20-12-14-27-15-13-20)16-24(17)26(31)28-18(2)22-9-5-7-19-6-3-4-8-23(19)22/h3-11,16,18,20,27H,12-15H2,1-2H3,(H,28,31)(H,29,30)/t18-/m1/s1
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n/an/an/a 5.40E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496798
PNG
(SARS-CoV-2 PLpro Inhibitor, 28)
Show SMILES C[C@@H](NC(=O)c1c(C)ccc2[nH]ccc12)c1cccc2ccccc12
Show InChI InChI=1S/C22H20N2O/c1-14-10-11-20-19(12-13-23-20)21(14)22(25)24-15(2)17-9-5-7-16-6-3-4-8-18(16)17/h3-13,15,23H,1-2H3,(H,24,25)/t15-/m1/s1
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n/an/an/a 4.32E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496799
PNG
(SARS-CoV-2 PLpro Inhibitor, 29)
Show SMILES C[C@@H](NC(=O)c1c(C)ccc2n(CC3CNC3)ccc12)c1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O/c1-17-10-11-24-23(12-13-29(24)16-19-14-27-15-19)25(17)26(30)28-18(2)21-9-5-7-20-6-3-4-8-22(20)21/h3-13,18-19,27H,14-16H2,1-2H3,(H,28,30)/t18-/m1/s1
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n/an/an/a 4.34E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496809
PNG
(SARS-CoV-2 PLpro Inhibitor, 39)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1c(O)ccc2ccccc12
Show InChI InChI=1S/C24H27N3O2/c1-15-8-10-18(27(3)19-13-25-14-19)12-21(15)24(29)26-16(2)23-20-7-5-4-6-17(20)9-11-22(23)28/h4-12,16,19,25,28H,13-14H2,1-3H3,(H,26,29)/t16-/m1/s1
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n/an/an/a 2.40E+5n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496854
PNG
(SARS-CoV-2 PLpro Inhibitor, 84)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CC[C@H](O)C2)s1
Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(31-23-14-29-15-23)13-26(18)28(34)30-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)17-32-11-10-24(33)16-32/h3-9,12-13,19,23-24,29,31,33H,10-11,14-17H2,1-2H3,(H,30,34)/t19-,24+/m1/s1
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n/an/an/a 668n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496858
PNG
(SARS-CoV-2 PLpro Inhibitor, 88)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCC(O)C2)s1
Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22?,25?/m1/s1
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n/an/an/a 488n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496867
PNG
(SARS-CoV-2 PLpro Inhibitor, 97)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc(c1)-c1ccc(CN)s1
Show InChI InChI=1S/C21H23N3OS/c1-13-6-7-17(23)11-19(13)21(25)24-14(2)15-4-3-5-16(10-15)20-9-8-18(12-22)26-20/h3-11,14H,12,22-23H2,1-2H3,(H,24,25)/t14-/m1/s1
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n/an/an/a 2.23E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496685
PNG
(SARS-CoV-2 PLpro Inhibitor, 15)
Show SMILES C[C@@H](NC(=O)c1cc(CN2CC(C2)C(O)=O)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C25H26N2O3/c1-16-10-11-18(13-27-14-20(15-27)25(29)30)12-23(16)24(28)26-17(2)21-9-5-7-19-6-3-4-8-22(19)21/h3-12,17,20H,13-15H2,1-2H3,(H,26,28)(H,29,30)/t17-/m1/s1
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n/an/an/a 8.16E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496801
PNG
(SARS-CoV-2 PLpro Inhibitor, 31)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ncc1C)c1cccc2ccccc12
Show InChI InChI=1S/C22H24N4O/c1-14-11-24-21(26-17-12-23-13-17)10-20(14)22(27)25-15(2)18-9-5-7-16-6-3-4-8-19(16)18/h3-11,15,17,23H,12-13H2,1-2H3,(H,24,26)(H,25,27)/t15-/m1/s1
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n/an/an/a 1.93E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496802
PNG
(SARS-CoV-2 PLpro Inhibitor, 32)
Show SMILES C[C@@H](NC(=O)c1cc(ncc1C)N(C)C1CNC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H26N4O/c1-15-12-25-22(27(3)18-13-24-14-18)11-21(15)23(28)26-16(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-12,16,18,24H,13-14H2,1-3H3,(H,26,28)/t16-/m1/s1
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n/an/an/an/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496804
PNG
(SARS-CoV-2 PLpro Inhibitor, 34)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1Cl)N(C)C1CNC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H24ClN3O/c1-15(19-9-5-7-16-6-3-4-8-20(16)19)26-23(28)21-12-17(10-11-22(21)24)27(2)18-13-25-14-18/h3-12,15,18,25H,13-14H2,1-2H3,(H,26,28)/t15-/m1/s1
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n/an/an/a 4.19E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496816
PNG
(SARS-CoV-2 PLpro Inhibitor, 46)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cn(C)c2ccccc12
Show InChI InChI=1S/C19H21N3O/c1-12-8-9-14(20)10-16(12)19(23)21-13(2)17-11-22(3)18-7-5-4-6-15(17)18/h4-11,13H,20H2,1-3H3,(H,21,23)/t13-/m1/s1
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n/an/an/a 2.97E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496818
PNG
(SARS-CoV-2 PLpro Inhibitor, 48)
Show SMILES CC(NC(=O)c1cc(N)ccc1C)c1cccc2cc[nH]c12
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n/an/an/a 3.03E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496819
PNG
(SARS-CoV-2 PLpro Inhibitor, 49)
Show SMILES CC(NC(=O)c1cc(N)ccc1C)c1c[nH]c2ccccc12
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n/an/an/an/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496829
PNG
(SARS-CoV-2 PLpro Inhibitor, 59)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1csc2ccccc12
Show InChI InChI=1S/C21H23N3OS/c1-13-7-8-15(24-16-10-22-11-16)9-18(13)21(25)23-14(2)19-12-26-20-6-4-3-5-17(19)20/h3-9,12,14,16,22,24H,10-11H2,1-2H3,(H,23,25)/t14-/m1/s1
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n/an/an/a 8.40E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496831
PNG
(SARS-CoV-2 PLpro Inhibitor, 61)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1nccc2ccccc12
Show InChI InChI=1S/C23H26N4O/c1-15-8-9-18(27(3)19-13-24-14-19)12-21(15)23(28)26-16(2)22-20-7-5-4-6-17(20)10-11-25-22/h4-12,16,19,24H,13-14H2,1-3H3,(H,26,28)/t16-/m1/s1
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n/an/an/a 1.96E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496843
PNG
(SARS-CoV-2 PLpro Inhibitor, 73)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCCC2)s1
Show InChI InChI=1S/C28H34N4OS/c1-19-8-9-23(31-24-16-29-17-24)15-26(19)28(33)30-20(2)21-6-5-7-22(14-21)27-11-10-25(34-27)18-32-12-3-4-13-32/h5-11,14-15,20,24,29,31H,3-4,12-13,16-18H2,1-2H3,(H,30,33)/t20-/m1/s1
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n/an/an/a 372n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2


(Homo sapiens (Human))
BDBM496843
PNG
(SARS-CoV-2 PLpro Inhibitor, 73)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCCC2)s1
Show InChI InChI=1S/C28H34N4OS/c1-19-8-9-23(31-24-16-29-17-24)15-26(19)28(33)30-20(2)21-6-5-7-22(14-21)27-11-10-25(34-27)18-32-12-3-4-13-32/h5-11,14-15,20,24,29,31H,3-4,12-13,16-18H2,1-2H3,(H,30,33)/t20-/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Illinois at Chicago



Assay Description
A549-hACE2 cells were seeded 1.5 105 cells/well in DMEM complete into 24-well plates (0.5 mL/well) and then incubated for 16 h at 37 C and 5% CO2....


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496849
PNG
(SARS-CoV-2 PLpro Inhibitor, 79)
Show SMILES CNC(=O)c1ccc(s1)-c1cccc(c1)[C@@H](C)NC(=O)c1cc(NC2CNC2)ccc1C
Show InChI InChI=1S/C25H28N4O2S/c1-15-7-8-19(29-20-13-27-14-20)12-21(15)24(30)28-16(2)17-5-4-6-18(11-17)22-9-10-23(32-22)25(31)26-3/h4-12,16,20,27,29H,13-14H2,1-3H3,(H,26,31)(H,28,30)/t16-/m1/s1
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n/an/an/a 1.02E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496860
PNG
(SARS-CoV-2 PLpro Inhibitor, 90)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCNC2=O)s1
Show InChI InChI=1S/C28H33N5O2S/c1-17-6-7-21(33-22-14-29-15-22)13-24(17)27(34)32-18(2)19-4-3-5-20(12-19)26-9-8-23(36-26)16-31-25-10-11-30-28(25)35/h3-9,12-13,18,22,25,29,31,33H,10-11,14-16H2,1-2H3,(H,30,35)(H,32,34)/t18-,25?/m1/s1
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n/an/an/a 1.37E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496861
PNG
(SARS-CoV-2 PLpro Inhibitor, 91)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CNC(=O)C2)s1
Show InChI InChI=1S/C28H33N5O2S/c1-17-6-7-21(33-23-13-29-14-23)11-25(17)28(35)32-18(2)19-4-3-5-20(10-19)26-9-8-24(36-26)16-30-22-12-27(34)31-15-22/h3-11,18,22-23,29-30,33H,12-16H2,1-2H3,(H,31,34)(H,32,35)/t18-,22?/m1/s1
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n/an/an/a 660n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM31524
PNG
(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
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n/an/an/a 2.70E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2


(Homo sapiens (Human))
BDBM31524
PNG
(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



University of Illinois at Chicago



Assay Description
A549-hACE2 cells were seeded 1.5 105 cells/well in DMEM complete into 24-well plates (0.5 mL/well) and then incubated for 16 h at 37 C and 5% CO2....


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496522
PNG
(SARS-CoV-2 PLpro Inhibitor, 6)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CCNCC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O/c1-17-10-11-21(28-20-12-14-26-15-13-20)16-24(17)25(29)27-18(2)22-9-5-7-19-6-3-4-8-23(19)22/h3-11,16,18,20,26,28H,12-15H2,1-2H3,(H,27,29)/t18-/m1/s1
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n/an/an/a 1.80E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496555
PNG
(SARS-CoV-2 PLpro Inhibitor, 9)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CCN(C)CC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C26H31N3O/c1-18-11-12-22(28-21-13-15-29(3)16-14-21)17-25(18)26(30)27-19(2)23-10-6-8-20-7-4-5-9-24(20)23/h4-12,17,19,21,28H,13-16H2,1-3H3,(H,27,30)/t19-/m1/s1
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n/an/an/a 1.30E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496797
PNG
(SARS-CoV-2 PLpro Inhibitor, 27)
Show SMILES C[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1cccc2ccccc12
Show InChI InChI=1S/C21H18N2O/c1-14(18-8-4-6-15-5-2-3-7-19(15)18)23-21(24)17-10-9-16-11-12-22-20(16)13-17/h2-14,22H,1H3,(H,23,24)/t14-/m1/s1
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n/an/an/a 4.18E+5n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496800
PNG
(SARS-CoV-2 PLpro Inhibitor, 30)
Show SMILES C[C@@H](NC(=O)c1nc(N)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C19H19N3O/c1-12-10-11-17(20)22-18(12)19(23)21-13(2)15-9-5-7-14-6-3-4-8-16(14)15/h3-11,13H,1-2H3,(H2,20,22)(H,21,23)/t13-/m1/s1
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n/an/an/an/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496800
PNG
(SARS-CoV-2 PLpro Inhibitor, 30)
Show SMILES C[C@@H](NC(=O)c1nc(N)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C19H19N3O/c1-12-10-11-17(20)22-18(12)19(23)21-13(2)15-9-5-7-14-6-3-4-8-16(14)15/h3-11,13H,1-2H3,(H2,20,22)(H,21,23)/t13-/m1/s1
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n/an/an/a>1.00E+6n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496812
PNG
(SARS-CoV-2 PLpro Inhibitor, 42)
Show SMILES CN(C1CNC1)c1ccc(C)c(c1)C(=O)NC(CO)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O2/c1-16-10-11-18(27(2)19-13-25-14-19)12-22(16)24(29)26-23(15-28)21-9-5-7-17-6-3-4-8-20(17)21/h3-12,19,23,25,28H,13-15H2,1-2H3,(H,26,29)
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n/an/an/a 1.86E+5n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496819
PNG
(SARS-CoV-2 PLpro Inhibitor, 49)
Show SMILES CC(NC(=O)c1cc(N)ccc1C)c1c[nH]c2ccccc12
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n/an/an/a>1.00E+6n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496822
PNG
(SARS-CoV-2 PLpro Inhibitor, 52)
Show SMILES CC(NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1cccc2cc[nH]c12
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n/an/an/a 1.88E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496836
PNG
(SARS-CoV-2 PLpro Inhibitor, 66)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccsc1
Show InChI InChI=1S/C23H25N3OS/c1-15-6-7-20(26-21-12-24-13-21)11-22(15)23(27)25-16(2)17-4-3-5-18(10-17)19-8-9-28-14-19/h3-11,14,16,21,24,26H,12-13H2,1-2H3,(H,25,27)/t16-/m1/s1
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n/an/an/a 1.39E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496839
PNG
(SARS-CoV-2 PLpro Inhibitor, 69)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCOCC2)s1
Show InChI InChI=1S/C28H34N4O2S/c1-19-6-7-23(31-24-16-29-17-24)15-26(19)28(33)30-20(2)21-4-3-5-22(14-21)27-9-8-25(35-27)18-32-10-12-34-13-11-32/h3-9,14-15,20,24,29,31H,10-13,16-18H2,1-2H3,(H,30,33)/t20-/m1/s1
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n/an/an/a 1.56E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Angiotensin-converting enzyme 2


(Homo sapiens (Human))
BDBM496842
PNG
(SARS-CoV-2 PLpro Inhibitor, 72)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCCC2)s1
Show InChI InChI=1S/C29H36N4OS/c1-19-10-11-24(33-25-16-30-17-25)15-27(19)29(34)32-20(2)21-6-5-7-22(14-21)28-13-12-26(35-28)18-31-23-8-3-4-9-23/h5-7,10-15,20,23,25,30-31,33H,3-4,8-9,16-18H2,1-2H3,(H,32,34)/t20-/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



University of Illinois at Chicago



Assay Description
A549-hACE2 cells were seeded 1.5 105 cells/well in DMEM complete into 24-well plates (0.5 mL/well) and then incubated for 16 h at 37 C and 5% CO2....


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496846
PNG
(SARS-CoV-2 PLpro Inhibitor, 76)
Show SMILES COC(=O)c1ccc(s1)-c1cccc(c1)[C@@H](C)NC(=O)c1cc(NC2CNC2)ccc1C
Show InChI InChI=1S/C25H27N3O3S/c1-15-7-8-19(28-20-13-26-14-20)12-21(15)24(29)27-16(2)17-5-4-6-18(11-17)22-9-10-23(32-22)25(30)31-3/h4-12,16,20,26,28H,13-14H2,1-3H3,(H,27,29)/t16-/m1/s1
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n/an/an/a 2.40E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496851
PNG
(SARS-CoV-2 PLpro Inhibitor, 81)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CC[C@@H](O)C2)s1
Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(31-23-14-29-15-23)13-26(18)28(34)30-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)17-32-11-10-24(33)16-32/h3-9,12-13,19,23-24,29,31,33H,10-11,14-17H2,1-2H3,(H,30,34)/t19-,24-/m1/s1
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n/an/an/a 761n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496853
PNG
(SARS-CoV-2 PLpro Inhibitor, 83)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CCC2)s1
Show InChI InChI=1S/C27H32N4OS/c1-18-7-8-22(30-23-15-28-16-23)14-25(18)27(32)29-19(2)20-5-3-6-21(13-20)26-10-9-24(33-26)17-31-11-4-12-31/h3,5-10,13-14,19,23,28,30H,4,11-12,15-17H2,1-2H3,(H,29,32)/t19-/m1/s1
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n/an/an/a 1.79E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496444
PNG
(SARS-CoV-2 PLpro Inhibitor, 4)
Show SMILES C[C@@H](NC(=O)c1cc(NC(=O)C2CCN(CC2)C(=O)OC(C)(C)C)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C31H37N3O4/c1-20-13-14-24(33-28(35)23-15-17-34(18-16-23)30(37)38-31(3,4)5)19-27(20)29(36)32-21(2)25-12-8-10-22-9-6-7-11-26(22)25/h6-14,19,21,23H,15-18H2,1-5H3,(H,32,36)(H,33,35)/t21-/m1/s1
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n/an/an/a 3.11E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496476
PNG
(SARS-CoV-2 PLpro Inhibitor, 5)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C23H25N3O/c1-15-10-11-18(26-19-13-24-14-19)12-22(15)23(27)25-16(2)20-9-5-7-17-6-3-4-8-21(17)20/h3-12,16,19,24,26H,13-14H2,1-2H3,(H,25,27)/t16-/m1/s1
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n/an/an/a 1.03E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496586
PNG
(SARS-CoV-2 PLpro Inhibitor, 13)
Show SMILES C[C@@H](NC(=O)c1cc(CNCC(O)=O)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N2O3/c1-15-10-11-17(13-24-14-22(26)27)12-21(15)23(28)25-16(2)19-9-5-7-18-6-3-4-8-20(18)19/h3-12,16,24H,13-14H2,1-2H3,(H,25,28)(H,26,27)/t16-/m1/s1
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n/an/an/a 2.65E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496792
PNG
(SARS-CoV-2 PLpro Inhibitor, 22)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C=C)c1cccc2ccccc12
Show InChI InChI=1S/C21H20N2O/c1-3-15-11-12-17(22)13-20(15)21(24)23-14(2)18-10-6-8-16-7-4-5-9-19(16)18/h3-14H,1,22H2,2H3,(H,23,24)/t14-/m1/s1
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n/an/an/a 5.46E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496805
PNG
(SARS-CoV-2 PLpro Inhibitor, 35)
Show SMILES Cc1ccc(N)cc1C(=O)NC(CO)c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O2/c1-13-9-10-15(21)11-18(13)20(24)22-19(12-23)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,19,23H,12,21H2,1H3,(H,22,24)
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n/an/an/an/an/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The PLpro primary assay, which measures protease activity with the short peptide substrate Z-RLRGG-AMC (Bachem), was performed in black flat-bottom 3...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496805
PNG
(SARS-CoV-2 PLpro Inhibitor, 35)
Show SMILES Cc1ccc(N)cc1C(=O)NC(CO)c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O2/c1-13-9-10-15(21)11-18(13)20(24)22-19(12-23)17-8-4-6-14-5-2-3-7-16(14)17/h2-11,19,23H,12,21H2,1H3,(H,22,24)
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n/an/an/a 3.91E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496806
PNG
(SARS-CoV-2 PLpro Inhibitor, 36)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1c(O)ccc2ccccc12
Show InChI InChI=1S/C20H20N2O2/c1-12-7-9-15(21)11-17(12)20(24)22-13(2)19-16-6-4-3-5-14(16)8-10-18(19)23/h3-11,13,23H,21H2,1-2H3,(H,22,24)/t13-/m1/s1
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n/an/an/a 1.84E+5n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496824
PNG
(SARS-CoV-2 PLpro Inhibitor, 54)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1cccc2n(CC3CCC3)ccc12
Show InChI InChI=1S/C27H34N4O/c1-18-10-11-21(30(3)22-15-28-16-22)14-25(18)27(32)29-19(2)23-8-5-9-26-24(23)12-13-31(26)17-20-6-4-7-20/h5,8-14,19-20,22,28H,4,6-7,15-17H2,1-3H3,(H,29,32)/t19-/m1/s1
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n/an/an/a 1.41E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496826
PNG
(SARS-CoV-2 PLpro Inhibitor, 56)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1Cl)c1csc2ccccc12
Show InChI InChI=1S/C20H20ClN3OS/c1-12(17-11-26-19-5-3-2-4-15(17)19)23-20(25)16-8-13(6-7-18(16)21)24-14-9-22-10-14/h2-8,11-12,14,22,24H,9-10H2,1H3,(H,23,25)/t12-/m1/s1
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n/an/an/a 3.30E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496841
PNG
(SARS-CoV-2 PLpro Inhibitor, 71)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNCC2CCNCC2)s1
Show InChI InChI=1S/C30H39N5OS/c1-20-6-7-25(35-26-17-33-18-26)15-28(20)30(36)34-21(2)23-4-3-5-24(14-23)29-9-8-27(37-29)19-32-16-22-10-12-31-13-11-22/h3-9,14-15,21-22,26,31-33,35H,10-13,16-19H2,1-2H3,(H,34,36)/t21-/m1/s1
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n/an/an/a 777n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496850
PNG
(SARS-CoV-2 PLpro Inhibitor, 80)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(=O)NCC1CCO1
Show InChI InChI=1S/C28H32N4O3S/c1-17-6-7-21(32-22-14-29-15-22)13-24(17)27(33)31-18(2)19-4-3-5-20(12-19)25-8-9-26(36-25)28(34)30-16-23-10-11-35-23/h3-9,12-13,18,22-23,29,32H,10-11,14-16H2,1-2H3,(H,30,34)(H,31,33)/t18-,23?/m1/s1
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n/an/an/a 1.42E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496857
PNG
(SARS-CoV-2 PLpro Inhibitor, 87)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@H]2CCOC2)s1
Show InChI InChI=1S/C28H34N4O2S/c1-18-6-7-22(32-24-14-29-15-24)13-26(18)28(33)31-19(2)20-4-3-5-21(12-20)27-9-8-25(35-27)16-30-23-10-11-34-17-23/h3-9,12-13,19,23-24,29-30,32H,10-11,14-17H2,1-2H3,(H,31,33)/t19-,23+/m1/s1
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n/an/an/a 840n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496862
PNG
(SARS-CoV-2 PLpro Inhibitor, 92)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@@H]2CC[C@H](O)C2)s1
Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22-,25+/m1/s1
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n/an/an/a 337n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496865
PNG
(SARS-CoV-2 PLpro Inhibitor, 95)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@H]2CC[C@H](O)C2)s1
Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22+,25+/m1/s1
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n/an/an/a 285n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496267
PNG
(SARS-CoV-2 PLpro Inhibitor, 101)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CN(C2)C(=O)OC(C)(C)C)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C28H33N3O3/c1-18-13-14-21(30-22-16-31(17-22)27(33)34-28(3,4)5)15-25(18)26(32)29-19(2)23-12-8-10-20-9-6-7-11-24(20)23/h6-15,19,22,30H,16-17H2,1-5H3,(H,29,32)/t19-/m1/s1
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n/an/an/a 1.60E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496557
PNG
(SARS-CoV-2 PLpro Inhibitor, 10)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CN(C)C1)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O/c1-17-12-13-20(28(4)21-15-27(3)16-21)14-24(17)25(29)26-18(2)22-11-7-9-19-8-5-6-10-23(19)22/h5-14,18,21H,15-16H2,1-4H3,(H,26,29)/t18-/m1/s1
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n/an/an/a 5.60E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496791
PNG
(SARS-CoV-2 PLpro Inhibitor, 21)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C20H17F3N2O/c1-12(15-8-4-6-13-5-2-3-7-16(13)15)25-19(26)17-11-14(24)9-10-18(17)20(21,22)23/h2-12H,24H2,1H3,(H,25,26)/t12-/m1/s1
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n/an/an/a 4.54E+5n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496817
PNG
(SARS-CoV-2 PLpro Inhibitor, 47)
Show SMILES CC(NC(=O)c1cc(ccc1C)[N+]([O-])=O)c1cccc2cc[nH]c12
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n/an/an/a>1.00E+6n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496823
PNG
(SARS-CoV-2 PLpro Inhibitor, 53)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1ccc2sccc2c1
Show InChI InChI=1S/C22H25N3OS/c1-14-4-6-18(25(3)19-12-23-13-19)11-20(14)22(26)24-15(2)16-5-7-21-17(10-16)8-9-27-21/h4-11,15,19,23H,12-13H2,1-3H3,(H,24,26)/t15-/m1/s1
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n/an/an/a 1.83E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496840
PNG
(SARS-CoV-2 PLpro Inhibitor, 70)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CNC2CCN(C)CC2)s1
Show InChI InChI=1S/C30H39N5OS/c1-20-7-8-25(34-26-17-31-18-26)16-28(20)30(36)33-21(2)22-5-4-6-23(15-22)29-10-9-27(37-29)19-32-24-11-13-35(3)14-12-24/h4-10,15-16,21,24,26,31-32,34H,11-14,17-19H2,1-3H3,(H,33,36)/t21-/m1/s1
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n/an/an/a 430n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496845
PNG
(SARS-CoV-2 PLpro Inhibitor, 75)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(O)=O
Show InChI InChI=1S/C24H25N3O3S/c1-14-6-7-18(27-19-12-25-13-19)11-20(14)23(28)26-15(2)16-4-3-5-17(10-16)21-8-9-22(31-21)24(29)30/h3-11,15,19,25,27H,12-13H2,1-2H3,(H,26,28)(H,29,30)/t15-/m1/s1
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n/an/an/a 2.06E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496847
PNG
(SARS-CoV-2 PLpro Inhibitor, 77 | SARS-CoV-2 PLpro ...)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(s1)C(=O)NC[C@H]1CCCO1
Show InChI InChI=1S/C29H34N4O3S/c1-18-8-9-22(33-23-15-30-16-23)14-25(18)28(34)32-19(2)20-5-3-6-21(13-20)26-10-11-27(37-26)29(35)31-17-24-7-4-12-36-24/h3,5-6,8-11,13-14,19,23-24,30,33H,4,7,12,15-17H2,1-2H3,(H,31,35)(H,32,34)/t19-,24-/m1/s1
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n/an/an/a 741n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496863
PNG
(SARS-CoV-2 PLpro Inhibitor, 93)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN[C@@H]2CC[C@@H](O)C2)s1
Show InChI InChI=1S/C29H36N4O2S/c1-18-6-7-23(33-24-15-30-16-24)14-27(18)29(35)32-19(2)20-4-3-5-21(12-20)28-11-10-26(36-28)17-31-22-8-9-25(34)13-22/h3-7,10-12,14,19,22,24-25,30-31,33-34H,8-9,13,15-17H2,1-2H3,(H,32,35)/t19-,22-,25-/m1/s1
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n/an/an/a 271n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496870
PNG
(SARS-CoV-2 PLpro Inhibitor, 100)
Show SMILES C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc(c1)-c1ccc(CN[C@H]2CC[C@@H](O)C2)s1
Show InChI InChI=1S/C28H33N3O3S/c1-17-7-8-23(31-19(3)32)15-26(17)28(34)30-18(2)20-5-4-6-21(13-20)27-12-11-25(35-27)16-29-22-9-10-24(33)14-22/h4-8,11-13,15,18,22,24,29,33H,9-10,14,16H2,1-3H3,(H,30,34)(H,31,32)/t18-,22+,24-/m1/s1
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n/an/an/a 1.88E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496558
PNG
(SARS-CoV-2 PLpro Inhibitor, 11)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CN(C)C2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O/c1-16-11-12-19(26-20-14-27(3)15-20)13-23(16)24(28)25-17(2)21-10-6-8-18-7-4-5-9-22(18)21/h4-13,17,20,26H,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1
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n/an/an/a 3.40E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496585
PNG
(SARS-CoV-2 PLpro Inhibitor, 12)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O/c1-16-11-12-19(27(3)20-14-25-15-20)13-23(16)24(28)26-17(2)21-10-6-8-18-7-4-5-9-22(18)21/h4-13,17,20,25H,14-15H2,1-3H3,(H,26,28)/t17-/m1/s1
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n/an/an/a 2.80E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496802
PNG
(SARS-CoV-2 PLpro Inhibitor, 32)
Show SMILES C[C@@H](NC(=O)c1cc(ncc1C)N(C)C1CNC1)c1cccc2ccccc12
Show InChI InChI=1S/C23H26N4O/c1-15-12-25-22(27(3)18-13-24-14-18)11-21(15)23(28)26-16(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-12,16,18,24H,13-14H2,1-3H3,(H,26,28)/t16-/m1/s1
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n/an/an/a 2.46E+5n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496807
PNG
(SARS-CoV-2 PLpro Inhibitor, 37)
Show SMILES Cc1ccc(N)cc1C(=O)N[C@H](CCO)c1cccc2ccccc12
Show InChI InChI=1S/C21H22N2O2/c1-14-9-10-16(22)13-19(14)21(25)23-20(11-12-24)18-8-4-6-15-5-2-3-7-17(15)18/h2-10,13,20,24H,11-12,22H2,1H3,(H,23,25)/t20-/m1/s1
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n/an/an/a 7.22E+5n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496815
PNG
(SARS-CoV-2 PLpro Inhibitor, 45)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1csc2ccccc12
Show InChI InChI=1S/C18H18N2OS/c1-11-7-8-13(19)9-15(11)18(21)20-12(2)16-10-22-17-6-4-3-5-14(16)17/h3-10,12H,19H2,1-2H3,(H,20,21)/t12-/m1/s1
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n/an/an/a 6.70E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496821
PNG
(SARS-CoV-2 PLpro Inhibitor, 51)
Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2cccnc12
Show InChI InChI=1S/C19H19N3O/c1-12-8-9-15(20)11-17(12)19(23)22-13(2)16-7-3-5-14-6-4-10-21-18(14)16/h3-11,13H,20H2,1-2H3,(H,22,23)/t13-/m1/s1
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n/an/an/a>1.00E+6n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496852
PNG
(SARS-CoV-2 PLpro Inhibitor, 82)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(c1)-c1ccc(CN2CC[C@@H](C)C2)s1
Show InChI InChI=1S/C29H36N4OS/c1-19-11-12-33(17-19)18-26-9-10-28(35-26)23-6-4-5-22(13-23)21(3)31-29(34)27-14-24(8-7-20(27)2)32-25-15-30-16-25/h4-10,13-14,19,21,25,30,32H,11-12,15-18H2,1-3H3,(H,31,34)/t19-,21-/m1/s1
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n/an/an/a 776n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496855
PNG
(SARS-CoV-2 PLpro Inhibitor, 85)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc(Br)c1
Show InChI InChI=1S/C19H22BrN3O/c1-12-6-7-16(23-17-10-21-11-17)9-18(12)19(24)22-13(2)14-4-3-5-15(20)8-14/h3-9,13,17,21,23H,10-11H2,1-2H3,(H,22,24)/t13-/m1/s1
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n/an/an/a 3.28E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496607
PNG
(SARS-CoV-2 PLpro Inhibitor, 14)
Show SMILES C[C@@H](NC(=O)c1cc(CNC2CNC2)ccc1C)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O/c1-16-10-11-18(13-26-20-14-25-15-20)12-23(16)24(28)27-17(2)21-9-5-7-19-6-3-4-8-22(19)21/h3-12,17,20,25-26H,13-15H2,1-2H3,(H,27,28)/t17-/m1/s1
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n/an/an/a 6.00E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496796
PNG
(SARS-CoV-2 PLpro Inhibitor, 26)
Show SMILES C[C@@H](NC(=O)c1cccc2[nH]ccc12)c1cccc2ccccc12
Show InChI InChI=1S/C21H18N2O/c1-14(16-9-4-7-15-6-2-3-8-17(15)16)23-21(24)19-10-5-11-20-18(19)12-13-22-20/h2-14,22H,1H3,(H,23,24)/t14-/m1/s1
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n/an/an/a 8.83E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496808
PNG
(SARS-CoV-2 PLpro Inhibitor, 38)
Show SMILES CC[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O/c1-4-24(22-11-7-9-18-8-5-6-10-21(18)22)27-25(29)23-14-19(13-12-17(23)2)28(3)20-15-26-16-20/h5-14,20,24,26H,4,15-16H2,1-3H3,(H,27,29)/t24-/m1/s1
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n/an/an/a 2.82E+5n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496825
PNG
(SARS-CoV-2 PLpro Inhibitor, 55)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1csc2ccccc12
Show InChI InChI=1S/C22H25N3OS/c1-14-8-9-16(25(3)17-11-23-12-17)10-19(14)22(26)24-15(2)20-13-27-21-7-5-4-6-18(20)21/h4-10,13,15,17,23H,11-12H2,1-3H3,(H,24,26)/t15-/m1/s1
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n/an/an/a 3.40E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496827
PNG
(SARS-CoV-2 PLpro Inhibitor, 57)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1Cl)N(C)C1CNC1)c1csc2ccccc12
Show InChI InChI=1S/C21H22ClN3OS/c1-13(18-12-27-20-6-4-3-5-16(18)20)24-21(26)17-9-14(7-8-19(17)22)25(2)15-10-23-11-15/h3-9,12-13,15,23H,10-11H2,1-2H3,(H,24,26)/t13-/m1/s1
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n/an/an/a 6.42E+4n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496828
PNG
(SARS-CoV-2 PLpro Inhibitor, 58)
Show SMILES C[C@@H](NC(=O)c1cc(ccc1C)N(C)C1CNC1)c1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C26H28N4O/c1-16-11-12-18(30(3)19-14-27-15-19)13-22(16)26(31)28-17(2)20-8-6-10-24-25(20)21-7-4-5-9-23(21)29-24/h4-13,17,19,27,29H,14-15H2,1-3H3,(H,28,31)/t17-/m1/s1
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n/an/an/a 8.40E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...


J Med Chem (2021)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM496830
PNG
(SARS-CoV-2 PLpro Inhibitor, 60)
Show SMILES C[C@@H](NC(=O)c1cc(NC2CNC2)ccc1C)c1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C25H26N4O/c1-15-10-11-17(28-18-13-26-14-18)12-21(15)25(30)27-16(2)19-7-5-9-23-24(19)20-6-3-4-8-22(20)29-23/h3-12,16,18,26,28-29H,13-14H2,1-2H3,(H,27,30)/t16-/m1/s1
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n/an/an/a 3.90E+3n/an/an/an/an/a



University of Illinois at Chicago



Assay Description
The His-tagged SARS-CoV-2 PLpro enzyme was initially prepared in phosphate buffer and diluted to 50 ug/mL with 10 mM sodium acetate (pH 5.5) and immo...