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Articleid 10018

Compile data set for download or QSAR
Found 170 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)
BDBM510127
PNG
(Methyl {(2S)-1-[(1R,2S,5S)-2-({(1S)-1-cyano-2-[(3S...)
Show SMILES COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35N5O5/c1-22(2,3)17(27-21(32)33-6)20(31)28-11-14-15(23(14,4)5)16(28)19(30)26-13(10-24)9-12-7-8-25-18(12)29/h12-17H,7-9,11H2,1-6H3,(H,25,29)(H,26,30)(H,27,32)/t12-,13-,14-,15-,16-,17+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510063
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3...)
Show SMILES COc1ccc(F)c2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H28FN5O4/c1-12(2)8-17(22(31)27-14(11-25)9-13-6-7-26-21(13)30)29-23(32)18-10-15-19(33-3)5-4-16(24)20(15)28-18/h4-5,10,12-14,17,28H,6-9H2,1-3H3,(H,26,30)(H,27,31)(H,29,32)/t13-,14-,17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM496902
PNG
(PF-07321332 | WO2021250648, Example 13 | science.a...)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C
Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510127
PNG
(Methyl {(2S)-1-[(1R,2S,5S)-2-({(1S)-1-cyano-2-[(3S...)
Show SMILES COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35N5O5/c1-22(2,3)17(27-21(32)33-6)20(31)28-11-14-15(23(14,4)5)16(28)19(30)26-13(10-24)9-12-7-8-25-18(12)29/h12-17H,7-9,11H2,1-6H3,(H,25,29)(H,26,30)(H,27,32)/t12-,13-,14-,15-,16-,17+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510132
PNG
((1R,2S,5S)-N-{(1 S)-1-Cyano-2-[(3S)-2- oxopyrrolid...)
Show SMILES CC(C)(CO)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C
Show InChI InChI=1S/C23H32F3N5O5/c1-21(2,10-32)16(30-20(36)23(24,25)26)19(35)31-9-13-14(22(13,3)4)15(31)18(34)29-12(8-27)7-11-5-6-28-17(11)33/h11-16,32H,5-7,9-10H2,1-4H3,(H,28,33)(H,29,34)(H,30,36)/t11-,12-,13-,14-,15-,16+/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510129
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3R)-5-hydroxy-2-oxo...)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CC(O)NC1=O)C#N)C2(C)C
Show InChI InChI=1S/C23H32F3N5O5/c1-21(2,3)16(30-20(36)23(24,25)26)19(35)31-9-12-14(22(12,4)5)15(31)18(34)28-11(8-27)6-10-7-13(32)29-17(10)33/h10-16,32H,6-7,9H2,1-5H3,(H,28,34)(H,29,33)(H,30,36)/t10-,11+,12+,13?,14+,15+,16-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510125
PNG
(3-Methyl-N-(trifluoroacetyl)-L-valyl-(4R)-N-{(1 S)...)
Show SMILES CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N1CC(C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C21H27F6N5O4/c1-19(2,3)14(31-18(36)21(25,26)27)17(35)32-9-11(20(22,23)24)7-13(32)16(34)30-12(8-28)6-10-4-5-29-15(10)33/h10-14H,4-7,9H2,1-3H3,(H,29,33)(H,30,34)(H,31,36)/t10-,11?,12-,13-,14?/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510140
PNG
(3-Methyl-N-[(4-methylphenyl)acetyl]-L-valyl-(4R)-N...)
Show SMILES Cc1ccc(CC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C#N)C3(C)C)C(C)(C)C)cc1
Show InChI InChI=1S/C30H41N5O4/c1-17-7-9-18(10-8-17)13-22(36)34-25(29(2,3)4)28(39)35-16-21-23(30(21,5)6)24(35)27(38)33-20(15-31)14-19-11-12-32-26(19)37/h7-10,19-21,23-25H,11-14,16H2,1-6H3,(H,32,37)(H,33,38)(H,34,36)/t19-,20-,21-,23-,24-,25+/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510133
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3R)-2,5-dioxopyrrol...)
Show SMILES CC(C)(CO)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CC(=O)NC1=O)C#N)C2(C)C
Show InChI InChI=1S/C23H30F3N5O6/c1-21(2,9-32)16(30-20(37)23(24,25)26)19(36)31-8-12-14(22(12,3)4)15(31)18(35)28-11(7-27)5-10-6-13(33)29-17(10)34/h10-12,14-16,32H,5-6,8-9H2,1-4H3,(H,28,35)(H,30,37)(H,29,33,34)/t10-,11+,12+,14+,15+,16-/m1/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510126
PNG
((1R,2S,5S)-N-{(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidi...)
Show SMILES CNC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C23H36N6O4/c1-22(2,3)17(28-21(33)25-6)20(32)29-11-14-15(23(14,4)5)16(29)19(31)27-13(10-24)9-12-7-8-26-18(12)30/h12-17H,7-9,11H2,1-6H3,(H,26,30)(H,27,31)(H2,25,28,33)/t12-,13-,14-,15-,16-,17+/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510068
PNG
(N-[(2S)-1-({(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-...)
Show SMILES COc1ccc(F)c2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H30FN5O4/c1-24(2,3)11-18(23(33)28-14(12-26)9-13-7-8-27-21(13)31)30-22(32)17-10-15-19(34-4)6-5-16(25)20(15)29-17/h5-6,10,13-14,18,29H,7-9,11H2,1-4H3,(H,27,31)(H,28,33)(H,30,32)/t13-,14-,18-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510136
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@H](CC1CCC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N5O4/c1-23(2)15-11-32(21(35)16(8-12-4-3-5-12)31-22(36)24(25,26)27)18(17(15)23)20(34)30-14(10-28)9-13-6-7-29-19(13)33/h12-18H,3-9,11H2,1-2H3,(H,29,33)(H,30,34)(H,31,36)/t13-,14-,15-,16-,17-,18-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510137
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H](CC1CCC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N5O4/c1-23(2)15-11-32(21(35)16(8-12-4-3-5-12)31-22(36)24(25,26)27)18(17(15)23)20(34)30-14(10-28)9-13-6-7-29-19(13)33/h12-18H,3-9,11H2,1-2H3,(H,29,33)(H,30,34)(H,31,36)/t13-,14-,15-,16+,17-,18-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510139
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC(C)(C)[C@H](NC(=O)COc1ccc(F)cc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C
Show InChI InChI=1S/C29H38FN5O5/c1-28(2,3)24(34-21(36)15-40-19-8-6-17(30)7-9-19)27(39)35-14-20-22(29(20,4)5)23(35)26(38)33-18(13-31)12-16-10-11-32-25(16)37/h6-9,16,18,20,22-24H,10-12,14-15H2,1-5H3,(H,32,37)(H,33,38)(H,34,36)/t16-,18-,20-,22-,23-,24+/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510145
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC[C@@H]([C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C[C@@H]1CCNC1=O)C#N)C2(C)C)C(F)(F)F
Show InChI InChI=1S/C23H29F6N5O4/c1-4-12(22(24,25)26)15(33-20(38)23(27,28)29)19(37)34-9-13-14(21(13,2)3)16(34)18(36)32-11(8-30)7-10-5-6-31-17(10)35/h10-16H,4-7,9H2,1-3H3,(H,31,35)(H,32,36)(H,33,38)/t10-,11+,12-,13-,14-,15-,16-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510142
PNG
((1R,2S,5S)-N-{(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidi...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@H](CC(F)F)NC(=O)C(F)(F)F
Show InChI InChI=1S/C21H26F5N5O4/c1-20(2)11-8-31(18(34)12(6-13(22)23)30-19(35)21(24,25)26)15(14(11)20)17(33)29-10(7-27)5-9-3-4-28-16(9)32/h9-15H,3-6,8H2,1-2H3,(H,28,32)(H,29,33)(H,30,35)/t9-,10-,11-,12-,14-,15-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510048
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C
Show InChI InChI=1S/C22H30F3N5O4/c1-10(2)15(29-20(34)22(23,24)25)19(33)30-9-13-14(21(13,3)4)16(30)18(32)28-12(8-26)7-11-5-6-27-17(11)31/h10-16H,5-7,9H2,1-4H3,(H,27,31)(H,28,32)(H,29,34)/t11-,12-,13-,14-,15-,16-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510141
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@H](Cn1cccn1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C23H28F3N7O4/c1-22(2)14-10-33(20(36)15(11-32-7-3-5-29-32)31-21(37)23(24,25)26)17(16(14)22)19(35)30-13(9-27)8-12-4-6-28-18(12)34/h3,5,7,12-17H,4,6,8,10-11H2,1-2H3,(H,28,34)(H,30,35)(H,31,37)/t12-,13-,14-,15-,16-,17-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510138
PNG
((1R,2S,5S)-N-{(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidi...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H](Cc1ccccn1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C25H29F3N6O4/c1-24(2)16-12-34(19(18(16)24)21(36)32-15(11-29)9-13-6-8-31-20(13)35)22(37)17(33-23(38)25(26,27)28)10-14-5-3-4-7-30-14/h3-5,7,13,15-19H,6,8-10,12H2,1-2H3,(H,31,35)(H,32,36)(H,33,38)/t13-,15-,16-,17+,18-,19-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510134
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@H](CCC(F)(F)F)NC(=O)C(F)(F)F
Show InChI InChI=1S/C22H27F6N5O4/c1-20(2)12-9-33(18(36)13(3-5-21(23,24)25)32-19(37)22(26,27)28)15(14(12)20)17(35)31-11(8-29)7-10-4-6-30-16(10)34/h10-15H,3-7,9H2,1-2H3,(H,30,34)(H,31,35)(H,32,37)/t10-,11-,12-,13-,14-,15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510123
PNG
((2S,4R)-4-tert-Butyl-N-{(1S)-1-cyano-2-[(3S)-2-oxo...)
Show SMILES CC(C)[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1CC[C@H](C[C@@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(C)(C)C
Show InChI InChI=1S/C23H36F3N5O5S/c1-13(2)18(30-37(35,36)23(24,25)26)21(34)31-9-7-15(22(3,4)5)11-17(31)20(33)29-16(12-27)10-14-6-8-28-19(14)32/h13-18,30H,6-11H2,1-5H3,(H,28,32)(H,29,33)/t14-,15+,16-,17+,18-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510064
PNG
(N-[(2S)-1-({(1S)-1- Cyano-2-[(3S)-2-oxopyrrolidin-...)
Show SMILES COc1c(F)ccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H28FN5O4/c1-12(2)8-18(22(31)27-14(11-25)9-13-6-7-26-21(13)30)29-23(32)19-10-15-17(28-19)5-4-16(24)20(15)33-3/h4-5,10,12-14,18,28H,6-9H2,1-3H3,(H,26,30)(H,27,31)(H,29,32)/t13-,14-,18-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510066
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3...)
Show SMILES COc1c(F)cc(F)c2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H27F2N5O4/c1-11(2)6-17(22(32)28-13(10-26)7-12-4-5-27-21(12)31)30-23(33)18-8-14-19(29-18)15(24)9-16(25)20(14)34-3/h8-9,11-13,17,29H,4-7H2,1-3H3,(H,27,31)(H,28,32)(H,30,33)/t12-,13-,17-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510071
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3...)
Show SMILES COc1c(F)cc(F)c2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H29F2N5O4/c1-24(2,3)10-18(23(34)29-13(11-27)7-12-5-6-28-21(12)32)31-22(33)17-8-14-19(30-17)15(25)9-16(26)20(14)35-4/h8-9,12-13,18,30H,5-7,10H2,1-4H3,(H,28,32)(H,29,34)(H,31,33)/t12-,13-,18-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510135
PNG
(WO2021250648, Example 87)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1
Show InChI InChI=1S/C24H34F3N5O5S/c1-23(2)16-12-32(19(17(16)23)21(34)30-15(11-28)10-14-8-9-29-20(14)33)22(35)18(13-6-4-3-5-7-13)31-38(36,37)24(25,26)27/h13-19,31H,3-10,12H2,1-2H3,(H,29,33)(H,30,34)/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510086
PNG
(WO2021250648, Example 38)
Show SMILES COc1ccc(c2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C25H30F3N5O4/c1-24(2,3)11-18(23(36)31-14(12-29)9-13-7-8-30-21(13)34)33-22(35)17-10-15-19(37-4)6-5-16(20(15)32-17)25(26,27)28/h5-6,10,13-14,18,32H,7-9,11H2,1-4H3,(H,30,34)(H,31,36)(H,33,35)/t13-,14-,18-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510054
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3...)
Show SMILES COc1ccc(c2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C24H28F3N5O4/c1-12(2)8-17(22(34)30-14(11-28)9-13-6-7-29-21(13)33)32-23(35)18-10-15-19(36-3)5-4-16(20(15)31-18)24(25,26)27/h4-5,10,12-14,17,31H,6-9H2,1-3H3,(H,29,33)(H,30,34)(H,32,35)/t13-,14-,17-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510101
PNG
(WO2021250648, Example 53)
Show SMILES COc1ccc(C)c2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C25H33N5O4/c1-14-6-7-20(34-5)17-11-18(29-21(14)17)23(32)30-19(12-25(2,3)4)24(33)28-16(13-26)10-15-8-9-27-22(15)31/h6-7,11,15-16,19,29H,8-10,12H2,1-5H3,(H,27,31)(H,28,33)(H,30,32)/t15-,16-,19-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM496896
PNG
(WO2021250648, Example 4 | science.abl4784, 2)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H29N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/t14-,15-,18-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510110
PNG
(WO2021250648, Example 62)
Show SMILES COc1ccc(C)c2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H31N5O4/c1-13(2)9-18(23(31)27-16(12-25)10-15-7-8-26-22(15)30)29-24(32)19-11-17-20(33-4)6-5-14(3)21(17)28-19/h5-6,11,13,15-16,18,28H,7-10H2,1-4H3,(H,26,30)(H,27,31)(H,29,32)/t15-,16-,18-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510100
PNG
(WO2021250648, Example 52)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2cccc(Cl)c2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H28ClN5O3/c1-23(2,3)11-18(22(32)27-15(12-25)9-14-7-8-26-20(14)30)29-21(31)17-10-13-5-4-6-16(24)19(13)28-17/h4-6,10,14-15,18,28H,7-9,11H2,1-3H3,(H,26,30)(H,27,32)(H,29,31)/t14-,15-,18-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510109
PNG
(WO2021250648, Example 61)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cccc(Cl)c2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H26ClN5O3/c1-12(2)8-17(21(30)26-15(11-24)9-14-6-7-25-20(14)29)28-22(31)18-10-13-4-3-5-16(23)19(13)27-18/h3-5,10,12,14-15,17,27H,6-9H2,1-2H3,(H,25,29)(H,26,30)(H,28,31)/t14-,15-,17-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510128
PNG
(N-(Trifluoroacetyl)-L-valyl-(4R)-N-{(1S)-1-cyano-2...)
Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C20H25F6N5O4/c1-9(2)14(30-18(35)20(24,25)26)17(34)31-8-11(19(21,22)23)6-13(31)16(33)29-12(7-27)5-10-3-4-28-15(10)32/h9-14H,3-6,8H2,1-2H3,(H,28,32)(H,29,33)(H,30,35)/t10-,11+,12-,13-,14-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510112
PNG
(WO2021250648, Example 64)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(Cl)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H26ClN5O3/c1-12(2)8-18(21(30)26-14(11-24)9-13-6-7-25-20(13)29)28-22(31)19-10-15-16(23)4-3-5-17(15)27-19/h3-5,10,12-14,18,27H,6-9H2,1-2H3,(H,25,29)(H,26,30)(H,28,31)/t13-,14-,18-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510115
PNG
(WO2021250648, Example 67)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H25Cl2N5O3/c1-11(2)5-18(21(31)27-14(10-25)6-12-3-4-26-20(12)30)29-22(32)19-9-15-16(24)7-13(23)8-17(15)28-19/h7-9,11-12,14,18,28H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,29,32)/t12-,14-,18-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510102
PNG
(WO2021250648, Example 54)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H28ClN5O3/c1-23(2,3)11-19(22(32)27-16(12-25)8-14-6-7-26-20(14)30)29-21(31)18-9-13-4-5-15(24)10-17(13)28-18/h4-5,9-10,14,16,19,28H,6-8,11H2,1-3H3,(H,26,30)(H,27,32)(H,29,31)/t14-,16-,19-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510105
PNG
(WO2021250648, Example 57)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2cccc(c2[nH]1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H28F3N5O3/c1-23(2,3)11-18(22(35)30-15(12-28)9-14-7-8-29-20(14)33)32-21(34)17-10-13-5-4-6-16(19(13)31-17)24(25,26)27/h4-6,10,14-15,18,31H,7-9,11H2,1-3H3,(H,29,33)(H,30,35)(H,32,34)/t14-,15-,18-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510065
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2- oxopyrrolidin-...)
Show SMILES COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(F)c12
Show InChI InChI=1S/C23H28FN5O4/c1-12(2)9-16(22(31)27-14(11-25)10-13-7-8-26-21(13)30)29-23(32)20-19(24)18-15(28-20)5-4-6-17(18)33-3/h4-6,12-14,16,28H,7-10H2,1-3H3,(H,26,30)(H,27,31)(H,29,32)/t13-,14-,16-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM509871
PNG
(US11124497, Compound 405)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510070
PNG
(N-[(2S)-1-({(1 S)-1-Cyano-2-[(3S)-2- oxopyrrolidin...)
Show SMILES COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(F)c12
Show InChI InChI=1S/C24H30FN5O4/c1-24(2,3)11-16(22(32)28-14(12-26)10-13-8-9-27-21(13)31)30-23(33)20-19(25)18-15(29-20)6-5-7-17(18)34-4/h5-7,13-14,16,29H,8-11H2,1-4H3,(H,27,31)(H,28,32)(H,30,33)/t13-,14-,16-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510081
PNG
(WO2021250648, Example 33)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(O)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H27N5O4/c1-12(2)8-17(21(30)25-14(11-23)9-13-6-7-24-20(13)29)27-22(31)18-10-15-16(26-18)4-3-5-19(15)28/h3-5,10,12-14,17,26,28H,6-9H2,1-2H3,(H,24,29)(H,25,30)(H,27,31)/t13-,14-,17-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510114
PNG
(WO2021250648, Example 66)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cccc(c2[nH]1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H26F3N5O3/c1-12(2)8-17(21(33)29-15(11-27)9-14-6-7-28-20(14)32)31-22(34)18-10-13-4-3-5-16(19(13)30-18)23(24,25)26/h3-5,10,12,14-15,17,30H,6-9H2,1-2H3,(H,28,32)(H,29,33)(H,31,34)/t14-,15-,17-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510082
PNG
(WO2021250648, Example 34)
Show SMILES COc1c(O)ccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H29N5O5/c1-12(2)8-17(22(31)26-14(11-24)9-13-6-7-25-21(13)30)28-23(32)18-10-15-16(27-18)4-5-19(29)20(15)33-3/h4-5,10,12-14,17,27,29H,6-9H2,1-3H3,(H,25,30)(H,26,31)(H,28,32)/t13-,14-,17-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510117
PNG
(WO2021250648, Example 69)
Show SMILES Cc1c(sc2ncc(n12)C(F)(F)F)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H27F3N6O3S/c1-11-16(35-20-28-10-15(31(11)20)22(23,24)25)19(34)30-14(8-21(2,3)4)18(33)29-13(9-26)7-12-5-6-27-17(12)32/h10,12-14H,5-8H2,1-4H3,(H,27,32)(H,29,33)(H,30,34)/t12-,13-,14-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM509848
PNG
(US11124497, Compound 361)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
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n/an/a 83n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510106
PNG
(WO2021250648, Example 58)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H27Cl2N5O3/c1-23(2,3)10-19(22(33)28-14(11-26)6-12-4-5-27-20(12)31)30-21(32)18-9-15-16(25)7-13(24)8-17(15)29-18/h7-9,12,14,19,29H,4-6,10H2,1-3H3,(H,27,31)(H,28,33)(H,30,32)/t12-,14-,19-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510116
PNG
(WO2021250648, Example 68)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(cccc2[nH]1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H26F3N5O3/c1-12(2)8-18(21(33)29-14(11-27)9-13-6-7-28-20(13)32)31-22(34)19-10-15-16(23(24,25)26)4-3-5-17(15)30-19/h3-5,10,12-14,18,30H,6-9H2,1-2H3,(H,28,32)(H,29,33)(H,31,34)/t13-,14-,18-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510131
PNG
((1R,2S,5S,6S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrroli...)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)[C@]2(C)CO
Show InChI InChI=1S/C23H32F3N5O5/c1-21(2,3)16(30-20(36)23(24,25)26)19(35)31-9-13-14(22(13,4)10-32)15(31)18(34)29-12(8-27)7-11-5-6-28-17(11)33/h11-16,32H,5-7,9-10H2,1-4H3,(H,28,33)(H,29,34)(H,30,36)/t11-,12-,13-,14-,15-,16+,22+/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510089
PNG
(WO2021250648, Example 41)
Show SMILES COc1cc(cc2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H29F6N5O4/c1-24(2,3)10-16(22(39)35-14(11-33)7-12-5-6-34-21(12)38)37-23(40)20-19(26(30,31)32)18-15(36-20)8-13(25(27,28)29)9-17(18)41-4/h8-9,12,14,16,36H,5-7,10H2,1-4H3,(H,34,38)(H,35,39)(H,37,40)/t12-,14-,16-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510103
PNG
(WO2021250648, Example 55)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2c(Cl)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H28ClN5O3/c1-23(2,3)11-19(22(32)27-14(12-25)9-13-7-8-26-20(13)30)29-21(31)18-10-15-16(24)5-4-6-17(15)28-18/h4-6,10,13-14,19,28H,7-9,11H2,1-3H3,(H,26,30)(H,27,32)(H,29,31)/t13-,14-,19-/m0/s1
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n/an/a 104n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510087
PNG
(WO2021250648, Example 39)
Show SMILES COc1ccc(c2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H29F6N5O4/c1-24(2,3)10-15(22(39)35-13(11-33)9-12-7-8-34-21(12)38)36-23(40)20-18(26(30,31)32)17-16(41-4)6-5-14(19(17)37-20)25(27,28)29/h5-6,12-13,15,37H,7-10H2,1-4H3,(H,34,38)(H,35,39)(H,36,40)/t12-,13-,15-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510111
PNG
(WO2021250648, Example 63 | WO2021250648, Example 6...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H26ClN5O3/c1-12(2)7-18(21(30)26-16(11-24)9-13-5-6-25-20(13)29)28-22(31)19-10-14-8-15(23)3-4-17(14)27-19/h3-4,8,10,12-13,16,18,27H,5-7,9H2,1-2H3,(H,25,29)(H,26,30)(H,28,31)/t13-,16-,18-/m0/s1
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n/an/a 117n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510111
PNG
(WO2021250648, Example 63 | WO2021250648, Example 6...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H26ClN5O3/c1-12(2)7-18(21(30)26-16(11-24)9-13-5-6-25-20(13)29)28-22(31)19-10-14-8-15(23)3-4-17(14)27-19/h3-4,8,10,12-13,16,18,27H,5-7,9H2,1-2H3,(H,25,29)(H,26,30)(H,28,31)/t13-,16-,18-/m0/s1
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n/an/a 122n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510088
PNG
(WO2021250648, Example 40)
Show SMILES COc1c(ccc2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H29F6N5O4/c1-24(2,3)10-16(22(39)35-13(11-33)9-12-7-8-34-21(12)38)37-23(40)19-18(26(30,31)32)17-15(36-19)6-5-14(20(17)41-4)25(27,28)29/h5-6,12-13,16,36H,7-10H2,1-4H3,(H,34,38)(H,35,39)(H,37,40)/t12-,13-,16-/m0/s1
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n/an/a 131n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510130
PNG
((1R,2S,5S,6R)-N-{(1 S)-1-Cyano-2-[(3S)-2-oxopyrrol...)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)[C@@]2(C)CO
Show InChI InChI=1S/C23H32F3N5O5/c1-21(2,3)16(30-20(36)23(24,25)26)19(35)31-9-13-14(22(13,4)10-32)15(31)18(34)29-12(8-27)7-11-5-6-28-17(11)33/h11-16,32H,5-7,9-10H2,1-4H3,(H,28,33)(H,29,34)(H,30,36)/t11-,12-,13-,14-,15-,16+,22-/m0/s1
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WIPO
n/an/a 139n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510098
PNG
(WO2021250648, Example 50)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H28F3N5O4/c1-23(2,3)11-18(22(35)30-14(12-28)9-13-7-8-29-20(13)33)32-21(34)17-10-15-16(31-17)5-4-6-19(15)36-24(25,26)27/h4-6,10,13-14,18,31H,7-9,11H2,1-3H3,(H,29,33)(H,30,35)(H,32,34)/t13-,14-,18-/m0/s1
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n/an/a 147n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510104
PNG
(WO2021250648, Example 56)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H28ClN5O3/c1-23(2,3)11-19(22(32)27-16(12-25)9-13-6-7-26-20(13)30)29-21(31)18-10-14-8-15(24)4-5-17(14)28-18/h4-5,8,10,13,16,19,28H,6-7,9,11H2,1-3H3,(H,26,30)(H,27,32)(H,29,31)/t13-,16-,19-/m0/s1
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n/an/a 151n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510107
PNG
(WO2021250648, Example 59)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2c(cccc2[nH]1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H28F3N5O3/c1-23(2,3)11-19(22(35)30-14(12-28)9-13-7-8-29-20(13)33)32-21(34)18-10-15-16(24(25,26)27)5-4-6-17(15)31-18/h4-6,10,13-14,19,31H,7-9,11H2,1-3H3,(H,29,33)(H,30,35)(H,32,34)/t13-,14-,19-/m0/s1
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n/an/a 152n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510085
PNG
(WO2021250648, Example 37)
Show SMILES COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C25H30F3N5O4/c1-24(2,3)11-16(22(35)31-14(12-29)10-13-8-9-30-21(13)34)33-23(36)20-19(25(26,27)28)18-15(32-20)6-5-7-17(18)37-4/h5-7,13-14,16,32H,8-11H2,1-4H3,(H,30,34)(H,31,35)(H,33,36)/t13-,14-,16-/m0/s1
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n/an/a 168n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510120
PNG
(WO2021250648, Example 72)
Show SMILES CCn1nc(C)c(Br)c1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C20H29BrN6O3/c1-5-27-17(16(21)12(4)26-27)20(30)25-15(8-11(2)3)19(29)24-14(10-22)9-13-6-7-23-18(13)28/h11,13-15H,5-9H2,1-4H3,(H,23,28)(H,24,29)(H,25,30)/t13-,14-,15-/m0/s1
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n/an/a 173n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510083
PNG
(WO2021250648, Example 35)
Show SMILES Cc1nn(C)c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C#N)c1Cl
Show InChI InChI=1S/C20H29ClN6O3/c1-11-15(21)16(27(5)26-11)19(30)25-14(9-20(2,3)4)18(29)24-13(10-22)8-12-6-7-23-17(12)28/h12-14H,6-9H2,1-5H3,(H,23,28)(H,24,29)(H,25,30)/t12-,13-,14-/m0/s1
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n/an/a 176n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510146
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC[C@H]([C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C[C@@H]1CCNC1=O)C#N)C2(C)C)C(F)(F)F
Show InChI InChI=1S/C23H29F6N5O4/c1-4-12(22(24,25)26)15(33-20(38)23(27,28)29)19(37)34-9-13-14(21(13,2)3)16(34)18(36)32-11(8-30)7-10-5-6-31-17(10)35/h10-16H,4-7,9H2,1-3H3,(H,31,35)(H,32,36)(H,33,38)/t10-,11+,12+,13-,14-,15-,16-/m0/s1
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n/an/a 188n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510099
PNG
(WO2021250648, Example 51)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H28F3N5O3/c1-23(2,3)11-19(22(35)30-16(12-28)9-13-6-7-29-20(13)33)32-21(34)18-10-14-8-15(24(25,26)27)4-5-17(14)31-18/h4-5,8,10,13,16,19,31H,6-7,9,11H2,1-3H3,(H,29,33)(H,30,35)(H,32,34)/t13-,16-,19-/m0/s1
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n/an/a 192n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510067
PNG
(N-[(2S)-1-({(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-...)
Show SMILES COc1c(F)ccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(F)c12
Show InChI InChI=1S/C23H27F2N5O4/c1-11(2)8-16(22(32)28-13(10-26)9-12-6-7-27-21(12)31)30-23(33)19-18(25)17-15(29-19)5-4-14(24)20(17)34-3/h4-5,11-13,16,29H,6-9H2,1-3H3,(H,27,31)(H,28,32)(H,30,33)/t12-,13-,16-/m0/s1
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n/an/a 208n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510121
PNG
(WO2021250648, Example 73)
Show SMILES CC(C)C[C@H](NC(=O)c1c(Cl)c(C)nn1C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C19H27ClN6O3/c1-10(2)7-14(24-19(29)16-15(20)11(3)25-26(16)4)18(28)23-13(9-21)8-12-5-6-22-17(12)27/h10,12-14H,5-8H2,1-4H3,(H,22,27)(H,23,28)(H,24,29)/t12-,13-,14-/m0/s1
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n/an/a 226n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510093
PNG
(WO2021250648, Example 45)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2ccc(cc2[nH]1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H28F3N5O3/c1-23(2,3)11-19(22(35)30-16(12-28)8-14-6-7-29-20(14)33)32-21(34)18-9-13-4-5-15(24(25,26)27)10-17(13)31-18/h4-5,9-10,14,16,19,31H,6-8,11H2,1-3H3,(H,29,33)(H,30,35)(H,32,34)/t14-,16-,19-/m0/s1
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n/an/a 227n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510084
PNG
(WO2021250648, Example 36)
Show SMILES CN(C)[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)c1ccccc1
Show InChI InChI=1S/C24H35N5O3/c1-24(2,3)14-19(22(31)27-18(15-25)13-17-11-12-26-21(17)30)28-23(32)20(29(4)5)16-9-7-6-8-10-16/h6-10,17-20H,11-14H2,1-5H3,(H,26,30)(H,27,31)(H,28,32)/t17-,18-,19-,20+/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510119
PNG
(WO2021250648, Example 71)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C20H26F3N5O3S/c1-10-14(32-18(26-10)20(21,22)23)17(31)28-13(8-19(2,3)4)16(30)27-12(9-24)7-11-5-6-25-15(11)29/h11-13H,5-8H2,1-4H3,(H,25,29)(H,27,30)(H,28,31)/t11-,12-,13-/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510057
PNG
(N-{1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-N2-...)
Show SMILES COC(C1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H38N4O4/c1-23(2,3)13-18(27-22(30)19(31-4)15-8-6-5-7-9-15)21(29)26-17(14-24)12-16-10-11-25-20(16)28/h15-19H,5-13H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)/t16-,17+,18-,19?/m0/s1
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Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510108
PNG
(WO2021250648, Example 60)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H26F3N5O3/c1-12(2)7-18(21(33)29-16(11-27)9-13-5-6-28-20(13)32)31-22(34)19-10-14-8-15(23(24,25)26)3-4-17(14)30-19/h3-4,8,10,12-13,16,18,30H,5-7,9H2,1-2H3,(H,28,32)(H,29,33)(H,31,34)/t13-,16-,18-/m0/s1
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n/an/a 261n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510094
PNG
(WO2021250648, Example 46)
Show SMILES COc1ccc(c2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H27F6N5O4/c1-11(2)8-15(22(38)34-13(10-32)9-12-6-7-33-21(12)37)35-23(39)20-18(25(29,30)31)17-16(40-3)5-4-14(19(17)36-20)24(26,27)28/h4-5,11-13,15,36H,6-9H2,1-3H3,(H,33,37)(H,34,38)(H,35,39)/t12-,13-,15-/m0/s1
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n/an/a 283n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510059
PNG
(N2-[(4-Bromo-1-ethyl-3-methyl-1H-pyrazol-5-yl)carb...)
Show SMILES CCn1nc(C)c(Br)c1C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C21H31BrN6O3/c1-6-28-17(16(22)12(2)27-28)20(31)26-15(10-21(3,4)5)19(30)25-14(11-23)9-13-7-8-24-18(13)29/h13-15H,6-10H2,1-5H3,(H,24,29)(H,25,30)(H,26,31)/t13-,14-,15-/m0/s1
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n/an/a 297n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510062
PNG
(N-[(2S)-1-({(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CCC(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H24F3N5O4/c1-34-18-4-2-3-15-14(18)10-17(29-15)21(33)30-16(5-7-22(23,24)25)20(32)28-13(11-26)9-12-6-8-27-19(12)31/h2-4,10,12-13,16,29H,5-9H2,1H3,(H,27,31)(H,28,32)(H,30,33)/t12-,13-,16-/m0/s1
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n/an/a 302n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510092
PNG
(WO2021250648, Example 44)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccc(cc2[nH]1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H26F3N5O3/c1-12(2)7-18(21(33)29-16(11-27)8-14-5-6-28-20(14)32)31-22(34)19-9-13-3-4-15(23(24,25)26)10-17(13)30-19/h3-4,9-10,12,14,16,18,30H,5-8H2,1-2H3,(H,28,32)(H,29,33)(H,31,34)/t14-,16-,18-/m0/s1
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n/an/a 302n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510053
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3...)
Show SMILES COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C24H28F3N5O4/c1-12(2)9-16(22(34)30-14(11-28)10-13-7-8-29-21(13)33)32-23(35)20-19(24(25,26)27)18-15(31-20)5-4-6-17(18)36-3/h4-6,12-14,16,31H,7-10H2,1-3H3,(H,29,33)(H,30,34)(H,32,35)/t13-,14-,16-/m0/s1
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n/an/a>351n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510090
PNG
(WO2021250648, Example 42)
Show SMILES CN(C)[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H34F3N5O3/c1-24(2,3)13-19(22(35)31-18(14-29)12-16-9-10-30-21(16)34)32-23(36)20(33(4)5)15-7-6-8-17(11-15)25(26,27)28/h6-8,11,16,18-20H,9-10,12-13H2,1-5H3,(H,30,34)(H,31,35)(H,32,36)/t16-,18-,19-,20+/m0/s1
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n/an/a>356n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510122
PNG
(WO2021250648, Example 74)
Show SMILES COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(C(C)=O)c12
Show InChI InChI=1S/C25H31N5O5/c1-13(2)10-18(24(33)28-16(12-26)11-15-8-9-27-23(15)32)30-25(34)22-20(14(3)31)21-17(29-22)6-5-7-19(21)35-4/h5-7,13,15-16,18,29H,8-11H2,1-4H3,(H,27,32)(H,28,33)(H,30,34)/t15-,16-,18-/m0/s1
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n/an/a>356n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510091
PNG
(WO2021250648, Example 43)
Show SMILES CN(C)[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H34F3N5O3/c1-24(2,3)13-19(22(35)31-18(14-29)12-16-10-11-30-21(16)34)32-23(36)20(33(4)5)15-6-8-17(9-7-15)25(26,27)28/h6-9,16,18-20H,10-13H2,1-5H3,(H,30,34)(H,31,35)(H,32,36)/t16-,18-,19-,20+/m0/s1
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n/an/a>356n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510096
PNG
(WO2021250648, Example 48)
Show SMILES COc1c(cc(c2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H26F9N5O4/c1-10(2)6-15(22(42)38-12(9-36)7-11-4-5-37-21(11)41)39-23(43)19-17(26(33,34)35)16-18(40-19)13(24(27,28)29)8-14(20(16)44-3)25(30,31)32/h8,10-12,15,40H,4-7H2,1-3H3,(H,37,41)(H,38,42)(H,39,43)/t11-,12-,15-/m0/s1
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n/an/a>359n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510095
PNG
(WO2021250648, Example 47)
Show SMILES COc1cc(c(c2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H26F9N5O4/c1-10(2)6-14(22(42)38-12(9-36)7-11-4-5-37-21(11)41)39-23(43)20-18(26(33,34)35)16-15(44-3)8-13(24(27,28)29)17(19(16)40-20)25(30,31)32/h8,10-12,14,40H,4-7H2,1-3H3,(H,37,41)(H,38,42)(H,39,43)/t11-,12-,14-/m0/s1
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n/an/a>359n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510051
PNG
(N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl...)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C21H26Cl2N4O3/c1-21(2,3)10-16(27-20(30)17-14(22)5-4-6-15(17)23)19(29)26-13(11-24)9-12-7-8-25-18(12)28/h4-6,12-13,16H,7-10H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)/t12-,13-,16-/m0/s1
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n/an/a 439n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510060
PNG
(N-{(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethy...)
Show SMILES CC(C)(C)C[C@H](NC(=O)CC1CC(F)(F)C1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C20H30F2N4O3/c1-19(2,3)10-15(26-16(27)6-12-8-20(21,22)9-12)18(29)25-14(11-23)7-13-4-5-24-17(13)28/h12-15H,4-10H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/t13-,14-,15-/m0/s1
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n/an/a 539n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510079
PNG
(WO2021250648, Example 31)
Show SMILES CC(C)(C)C[C@H](NC(=O)[C@H]1CC[C@@H](CC1)C#N)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H33N5O3/c1-22(2,3)11-18(27-20(29)15-6-4-14(12-23)5-7-15)21(30)26-17(13-24)10-16-8-9-25-19(16)28/h14-18H,4-11H2,1-3H3,(H,25,28)(H,26,30)(H,27,29)/t14-,15-,16-,17-,18-/m0/s1
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n/an/a 606n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510080
PNG
(WO2021250648, Example 32)
Show SMILES CC(OC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H38N4O4/c1-15(31-18-8-6-5-7-9-18)20(28)27-19(13-23(2,3)4)22(30)26-17(14-24)12-16-10-11-25-21(16)29/h15-19H,5-13H2,1-4H3,(H,25,29)(H,26,30)(H,27,28)/t15?,16-,17-,19-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510055
PNG
(N-[(2S)-1-({(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-...)
Show SMILES Cc1c(sc2nccn12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C21H28N6O3S/c1-12-16(31-20-24-7-8-27(12)20)19(30)26-15(10-21(2,3)4)18(29)25-14(11-22)9-13-5-6-23-17(13)28/h7-8,13-15H,5-6,9-10H2,1-4H3,(H,23,28)(H,25,29)(H,26,30)/t13-,14-,15-/m0/s1
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n/an/a 798n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510144
PNG
((1R,2S,5S)-N-{(1R)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C[C@@H]1CCNC1=O)C#N)C2(C)C
Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12+,13-,14-,15-,16+/m0/s1
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n/an/a 844n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510056
PNG
(N-{1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-N2-...)
Show SMILES COC(C1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H38N4O4/c1-23(2,3)13-18(27-22(30)19(31-4)15-8-6-5-7-9-15)21(29)26-17(14-24)12-16-10-11-25-20(16)28/h15-19H,5-13H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)/t16-,17-,18-,19?/m0/s1
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n/an/a 917n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510050
PNG
(N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl...)
Show SMILES CC(C)(C)C[C@H](NC(=O)CN1CCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C20H33N5O3/c1-20(2,3)11-16(24-17(26)13-25-8-4-5-9-25)19(28)23-15(12-21)10-14-6-7-22-18(14)27/h14-16H,4-11,13H2,1-3H3,(H,22,27)(H,23,28)(H,24,26)/t14-,15-,16-/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510076
PNG
(WO2021250648, Example 28)
Show SMILES CC(C)(C)C[C@H](NC(=O)COC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H36N4O4/c1-22(2,3)12-18(26-19(27)14-30-17-7-5-4-6-8-17)21(29)25-16(13-23)11-15-9-10-24-20(15)28/h15-18H,4-12,14H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/t15-,16-,18-/m0/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510072
PNG
(WO2021250648, Example 24)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1csc(n1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C19H24F3N5O3S/c1-18(2,3)7-12(26-16(30)13-9-31-17(27-13)19(20,21)22)15(29)25-11(8-23)6-10-4-5-24-14(10)28/h9-12H,4-7H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)/t10-,11-,12-/m0/s1
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n/an/a 1.93E+3n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510077
PNG
(WO2021250648, Example 29)
Show SMILES CC(CC(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C19H29F3N4O3/c1-11(19(20,21)22)7-15(27)26-14(9-18(2,3)4)17(29)25-13(10-23)8-12-5-6-24-16(12)28/h11-14H,5-9H2,1-4H3,(H,24,28)(H,25,29)(H,26,27)/t11?,12-,13-,14-/m0/s1
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n/an/a 2.23E+3n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510075
PNG
(WO2021250648, Example 27)
Show SMILES CC(C)OCC(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C19H32N4O4/c1-12(2)27-11-16(24)23-15(9-19(3,4)5)18(26)22-14(10-20)8-13-6-7-21-17(13)25/h12-15H,6-9,11H2,1-5H3,(H,21,25)(H,22,26)(H,23,24)/t13-,14-,15-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510118
PNG
(WO2021250648, Example 70)
Show SMILES Cc1sc(nc1C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C20H26F3N5O3S/c1-10-14(28-18(32-10)20(21,22)23)17(31)27-13(8-19(2,3)4)16(30)26-12(9-24)7-11-5-6-25-15(11)29/h11-13H,5-8H2,1-4H3,(H,25,29)(H,26,30)(H,27,31)/t11-,12-,13-/m0/s1
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n/an/a 6.95E+3n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510123
PNG
((2S,4R)-4-tert-Butyl-N-{(1S)-1-cyano-2-[(3S)-2-oxo...)
Show SMILES CC(C)[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1CC[C@H](C[C@@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(C)(C)C
Show InChI InChI=1S/C23H36F3N5O5S/c1-13(2)18(30-37(35,36)23(24,25)26)21(34)31-9-7-15(22(3,4)5)11-17(31)20(33)29-16(12-27)10-14-6-8-28-19(14)32/h13-18,30H,6-11H2,1-5H3,(H,28,32)(H,29,33)/t14-,15+,16-,17+,18-/m0/s1
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n/an/a>8.16E+3n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510078
PNG
(WO2021250648, Example 30)
Show SMILES CN(C)[C@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)c1ccccc1
Show InChI InChI=1S/C24H35N5O3/c1-24(2,3)14-19(22(31)27-18(15-25)13-17-11-12-26-21(17)30)28-23(32)20(29(4)5)16-9-7-6-8-10-16/h6-10,17-20H,11-14H2,1-5H3,(H,26,30)(H,27,31)(H,28,32)/t17-,18-,19-,20-/m0/s1
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n/an/a>1.08E+4n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510055
PNG
(N-[(2S)-1-({(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-...)
Show SMILES Cc1c(sc2nccn12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C21H28N6O3S/c1-12-16(31-20-24-7-8-27(12)20)19(30)26-15(10-21(2,3)4)18(29)25-14(11-22)9-13-5-6-23-17(13)28/h7-8,13-15H,5-6,9-10H2,1-4H3,(H,23,28)(H,25,29)(H,26,30)/t13-,14-,15-/m0/s1
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n/an/an/an/a 4.31E+4n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510060
PNG
(N-{(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethy...)
Show SMILES CC(C)(C)C[C@H](NC(=O)CC1CC(F)(F)C1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C20H30F2N4O3/c1-19(2,3)10-15(26-16(27)6-12-8-20(21,22)9-12)18(29)25-14(11-23)7-13-4-5-24-17(13)28/h12-15H,4-10H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/t13-,14-,15-/m0/s1
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n/an/an/an/a 6.33E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM496902
PNG
(PF-07321332 | WO2021250648, Example 13 | science.a...)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C
Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1
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n/an/an/an/a 75n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510077
PNG
(WO2021250648, Example 29)
Show SMILES CC(CC(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C19H29F3N4O3/c1-11(19(20,21)22)7-15(27)26-14(9-18(2,3)4)17(29)25-13(10-23)8-12-5-6-24-16(12)28/h11-14H,5-9H2,1-4H3,(H,24,28)(H,25,29)(H,26,27)/t11?,12-,13-,14-/m0/s1
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n/an/an/an/a 2.81E+4n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510081
PNG
(WO2021250648, Example 33)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(O)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H27N5O4/c1-12(2)8-17(21(30)25-14(11-23)9-13-6-7-24-20(13)29)27-22(31)18-10-15-16(26-18)4-3-5-19(15)28/h3-5,10,12-14,17,26,28H,6-9H2,1-2H3,(H,24,29)(H,25,30)(H,27,31)/t13-,14-,17-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510085
PNG
(WO2021250648, Example 37)
Show SMILES COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C25H30F3N5O4/c1-24(2,3)11-16(22(35)31-14(12-29)10-13-8-9-30-21(13)34)33-23(36)20-19(25(26,27)28)18-15(32-20)6-5-7-17(18)37-4/h5-7,13-14,16,32H,8-11H2,1-4H3,(H,30,34)(H,31,35)(H,33,36)/t13-,14-,16-/m0/s1
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n/an/an/an/a>3.33E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510088
PNG
(WO2021250648, Example 40)
Show SMILES COc1c(ccc2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H29F6N5O4/c1-24(2,3)10-16(22(39)35-13(11-33)9-12-7-8-34-21(12)38)37-23(40)19-18(26(30,31)32)17-15(36-19)6-5-14(20(17)41-4)25(27,28)29/h5-6,12-13,16,36H,7-10H2,1-4H3,(H,34,38)(H,35,39)(H,37,40)/t12-,13-,16-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510125
PNG
(3-Methyl-N-(trifluoroacetyl)-L-valyl-(4R)-N-{(1 S)...)
Show SMILES CC(C)(C)C(NC(=O)C(F)(F)F)C(=O)N1CC(C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C21H27F6N5O4/c1-19(2,3)14(31-18(36)21(25,26)27)17(35)32-9-11(20(22,23)24)7-13(32)16(34)30-12(8-28)6-10-4-5-29-15(10)33/h10-14H,4-7,9H2,1-3H3,(H,29,33)(H,30,34)(H,31,36)/t10-,11?,12-,13-,14?/m0/s1
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n/an/an/an/a 85n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510127
PNG
(Methyl {(2S)-1-[(1R,2S,5S)-2-({(1S)-1-cyano-2-[(3S...)
Show SMILES COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35N5O5/c1-22(2,3)17(27-21(32)33-6)20(31)28-11-14-15(23(14,4)5)16(28)19(30)26-13(10-24)9-12-7-8-25-18(12)29/h12-17H,7-9,11H2,1-6H3,(H,25,29)(H,26,30)(H,27,32)/t12-,13-,14-,15-,16-,17+/m0/s1
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n/an/an/an/a 80n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510054
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3...)
Show SMILES COc1ccc(c2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C24H28F3N5O4/c1-12(2)8-17(22(34)30-14(11-28)9-13-6-7-29-21(13)33)32-23(35)18-10-15-19(36-3)5-4-16(20(15)31-18)24(25,26)27/h4-5,10,12-14,17,31H,6-9H2,1-3H3,(H,29,33)(H,30,34)(H,32,35)/t13-,14-,17-/m0/s1
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n/an/an/an/a 279n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510059
PNG
(N2-[(4-Bromo-1-ethyl-3-methyl-1H-pyrazol-5-yl)carb...)
Show SMILES CCn1nc(C)c(Br)c1C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C21H31BrN6O3/c1-6-28-17(16(22)12(2)27-28)20(31)26-15(10-21(3,4)5)19(30)25-14(11-23)9-13-7-8-24-18(13)29/h13-15H,6-10H2,1-5H3,(H,24,29)(H,25,30)(H,26,31)/t13-,14-,15-/m0/s1
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n/an/an/an/a 4.78E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510082
PNG
(WO2021250648, Example 34)
Show SMILES COc1c(O)ccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H29N5O5/c1-12(2)8-17(22(31)26-14(11-24)9-13-6-7-25-21(13)30)28-23(32)18-10-15-16(27-18)4-5-19(29)20(15)33-3/h4-5,10,12-14,17,27,29H,6-9H2,1-3H3,(H,25,30)(H,26,31)(H,28,32)/t13-,14-,17-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510091
PNG
(WO2021250648, Example 43)
Show SMILES CN(C)[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H34F3N5O3/c1-24(2,3)13-19(22(35)31-18(14-29)12-16-10-11-30-21(16)34)32-23(36)20(33(4)5)15-6-8-17(9-7-15)25(26,27)28/h6-9,16,18-20H,10-13H2,1-5H3,(H,30,34)(H,31,35)(H,32,36)/t16-,18-,19-,20+/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510095
PNG
(WO2021250648, Example 47)
Show SMILES COc1cc(c(c2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H26F9N5O4/c1-10(2)6-14(22(42)38-12(9-36)7-11-4-5-37-21(11)41)39-23(43)20-18(26(33,34)35)16-15(44-3)8-13(24(27,28)29)17(19(16)40-20)25(30,31)32/h8,10-12,14,40H,4-7H2,1-3H3,(H,37,41)(H,38,42)(H,39,43)/t11-,12-,14-/m0/s1
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n/an/an/an/a>3.33E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510120
PNG
(WO2021250648, Example 72)
Show SMILES CCn1nc(C)c(Br)c1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C20H29BrN6O3/c1-5-27-17(16(21)12(4)26-27)20(30)25-15(8-11(2)3)19(29)24-14(10-22)9-13-6-7-23-18(13)28/h11,13-15H,5-9H2,1-4H3,(H,23,28)(H,24,29)(H,25,30)/t13-,14-,15-/m0/s1
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n/an/an/an/a 1.35E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510121
PNG
(WO2021250648, Example 73)
Show SMILES CC(C)C[C@H](NC(=O)c1c(Cl)c(C)nn1C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C19H27ClN6O3/c1-10(2)7-14(24-19(29)16-15(20)11(3)25-26(16)4)18(28)23-13(9-21)8-12-5-6-22-17(12)27/h10,12-14H,5-8H2,1-4H3,(H,22,27)(H,23,28)(H,24,29)/t12-,13-,14-/m0/s1
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n/an/an/an/a 2.03E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510138
PNG
((1R,2S,5S)-N-{(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidi...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H](Cc1ccccn1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C25H29F3N6O4/c1-24(2)16-12-34(19(18(16)24)21(36)32-15(11-29)9-13-6-8-31-20(13)35)22(37)17(33-23(38)25(26,27)28)10-14-5-3-4-7-30-14/h3-5,7,13,15-19H,6,8-10,12H2,1-2H3,(H,31,35)(H,32,36)(H,33,38)/t13-,15-,16-,17+,18-,19-/m0/s1
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n/an/an/an/a 571n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510127
PNG
(Methyl {(2S)-1-[(1R,2S,5S)-2-({(1S)-1-cyano-2-[(3S...)
Show SMILES COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C23H35N5O5/c1-22(2,3)17(27-21(32)33-6)20(31)28-11-14-15(23(14,4)5)16(28)19(30)26-13(10-24)9-12-7-8-25-18(12)29/h12-17H,7-9,11H2,1-6H3,(H,25,29)(H,26,30)(H,27,32)/t12-,13-,14-,15-,16-,17+/m0/s1
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n/an/an/an/a 98n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510144
PNG
((1R,2S,5S)-N-{(1R)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C[C@@H]1CCNC1=O)C#N)C2(C)C
Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12+,13-,14-,15-,16+/m0/s1
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n/an/an/an/a 9.19E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510053
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3...)
Show SMILES COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F
Show InChI InChI=1S/C24H28F3N5O4/c1-12(2)9-16(22(34)30-14(11-28)10-13-7-8-29-21(13)33)32-23(35)20-19(24(25,26)27)18-15(31-20)5-4-6-17(18)36-3/h4-6,12-14,16,31H,7-10H2,1-3H3,(H,29,33)(H,30,34)(H,32,35)/t13-,14-,16-/m0/s1
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n/an/an/an/a>3.33E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510057
PNG
(N-{1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-N2-...)
Show SMILES COC(C1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H38N4O4/c1-23(2,3)13-18(27-22(30)19(31-4)15-8-6-5-7-9-15)21(29)26-17(14-24)12-16-10-11-25-20(16)28/h15-19H,5-13H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)/t16-,17+,18-,19?/m0/s1
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n/an/an/an/a 970n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510063
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3...)
Show SMILES COc1ccc(F)c2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H28FN5O4/c1-12(2)8-17(22(31)27-14(11-25)9-13-6-7-26-21(13)30)29-23(32)18-10-15-19(33-3)5-4-16(24)20(15)28-18/h4-5,10,12-14,17,28H,6-9H2,1-3H3,(H,26,30)(H,27,31)(H,29,32)/t13-,14-,17-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510065
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2- oxopyrrolidin-...)
Show SMILES COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(F)c12
Show InChI InChI=1S/C23H28FN5O4/c1-12(2)9-16(22(31)27-14(11-25)10-13-7-8-26-21(13)30)29-23(32)20-19(24)18-15(28-20)5-4-6-17(18)33-3/h4-6,12-14,16,28H,7-10H2,1-3H3,(H,26,30)(H,27,31)(H,29,32)/t13-,14-,16-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510084
PNG
(WO2021250648, Example 36)
Show SMILES CN(C)[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)c1ccccc1
Show InChI InChI=1S/C24H35N5O3/c1-24(2,3)14-19(22(31)27-18(15-25)13-17-11-12-26-21(17)30)28-23(32)20(29(4)5)16-9-7-6-8-10-16/h6-10,17-20H,11-14H2,1-5H3,(H,26,30)(H,27,31)(H,28,32)/t17-,18-,19-,20+/m0/s1
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n/an/an/an/a 1.03E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510087
PNG
(WO2021250648, Example 39)
Show SMILES COc1ccc(c2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H29F6N5O4/c1-24(2,3)10-15(22(39)35-13(11-33)9-12-7-8-34-21(12)38)36-23(40)20-18(26(30,31)32)17-16(41-4)6-5-14(19(17)37-20)25(27,28)29/h5-6,12-13,15,37H,7-10H2,1-4H3,(H,34,38)(H,35,39)(H,36,40)/t12-,13-,15-/m0/s1
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n/an/an/an/a>3.33E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510117
PNG
(WO2021250648, Example 69)
Show SMILES Cc1c(sc2ncc(n12)C(F)(F)F)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H27F3N6O3S/c1-11-16(35-20-28-10-15(31(11)20)22(23,24)25)19(34)30-14(8-21(2,3)4)18(33)29-13(9-26)7-12-5-6-27-17(12)32/h10,12-14H,5-8H2,1-4H3,(H,27,32)(H,29,33)(H,30,34)/t12-,13-,14-/m0/s1
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n/an/an/an/a>2.67E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510118
PNG
(WO2021250648, Example 70)
Show SMILES Cc1sc(nc1C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C20H26F3N5O3S/c1-10-14(28-18(32-10)20(21,22)23)17(31)27-13(8-19(2,3)4)16(30)26-12(9-24)7-11-5-6-25-15(11)29/h11-13H,5-8H2,1-4H3,(H,25,29)(H,26,30)(H,27,31)/t11-,12-,13-/m0/s1
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n/an/an/an/a 4.09E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510146
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC[C@H]([C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C[C@@H]1CCNC1=O)C#N)C2(C)C)C(F)(F)F
Show InChI InChI=1S/C23H29F6N5O4/c1-4-12(22(24,25)26)15(33-20(38)23(27,28)29)19(37)34-9-13-14(21(13,2)3)16(34)18(36)32-11(8-30)7-10-5-6-31-17(10)35/h10-16H,4-7,9H2,1-3H3,(H,31,35)(H,32,36)(H,33,38)/t10-,11+,12+,13-,14-,15-,16-/m0/s1
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n/an/an/an/a 1.74E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510048
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C
Show InChI InChI=1S/C22H30F3N5O4/c1-10(2)15(29-20(34)22(23,24)25)19(33)30-9-13-14(21(13,3)4)16(30)18(32)28-12(8-26)7-11-5-6-27-17(11)31/h10-16H,5-7,9H2,1-4H3,(H,27,31)(H,28,32)(H,29,34)/t11-,12-,13-,14-,15-,16-/m0/s1
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n/an/an/an/a 246n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510050
PNG
(N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl...)
Show SMILES CC(C)(C)C[C@H](NC(=O)CN1CCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C20H33N5O3/c1-20(2,3)11-16(24-17(26)13-25-8-4-5-9-25)19(28)23-15(12-21)10-14-6-7-22-18(14)27/h14-16H,4-11,13H2,1-3H3,(H,22,27)(H,23,28)(H,24,26)/t14-,15-,16-/m0/s1
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n/an/an/an/a 7.52E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510066
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3...)
Show SMILES COc1c(F)cc(F)c2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H27F2N5O4/c1-11(2)6-17(22(32)28-13(10-26)7-12-4-5-27-21(12)31)30-23(33)18-8-14-19(29-18)15(24)9-16(25)20(14)34-3/h8-9,11-13,17,29H,4-7H2,1-3H3,(H,27,31)(H,28,32)(H,30,33)/t12-,13-,17-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510094
PNG
(WO2021250648, Example 46)
Show SMILES COc1ccc(c2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H27F6N5O4/c1-11(2)8-15(22(38)34-13(10-32)9-12-6-7-33-21(12)37)35-23(39)20-18(25(29,30)31)17-16(40-3)5-4-14(19(17)36-20)24(26,27)28/h4-5,11-13,15,36H,6-9H2,1-3H3,(H,33,37)(H,34,38)(H,35,39)/t12-,13-,15-/m0/s1
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n/an/an/an/a>3.33E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510122
PNG
(WO2021250648, Example 74)
Show SMILES COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(C(C)=O)c12
Show InChI InChI=1S/C25H31N5O5/c1-13(2)10-18(24(33)28-16(12-26)11-15-8-9-27-23(15)32)30-25(34)22-20(14(3)31)21-17(29-22)6-5-7-19(21)35-4/h5-7,13,15-16,18,29H,8-11H2,1-4H3,(H,27,32)(H,28,33)(H,30,34)/t15-,16-,18-/m0/s1
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n/an/an/an/a>3.33E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510071
PNG
(N-[(2S)-1-({(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3...)
Show SMILES COc1c(F)cc(F)c2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H29F2N5O4/c1-24(2,3)10-18(23(34)29-13(11-27)7-12-5-6-28-21(12)32)31-22(33)17-8-14-19(30-17)15(25)9-16(26)20(14)35-4/h8-9,12-13,18,30H,5-7,10H2,1-4H3,(H,28,32)(H,29,34)(H,31,33)/t12-,13-,18-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510072
PNG
(WO2021250648, Example 24)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1csc(n1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C19H24F3N5O3S/c1-18(2,3)7-12(26-16(30)13-9-31-17(27-13)19(20,21)22)15(29)25-11(8-23)6-10-4-5-24-14(10)28/h9-12H,4-7H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)/t10-,11-,12-/m0/s1
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n/an/an/an/a 6.30E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510075
PNG
(WO2021250648, Example 27)
Show SMILES CC(C)OCC(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C19H32N4O4/c1-12(2)27-11-16(24)23-15(9-19(3,4)5)18(26)22-14(10-20)8-13-6-7-21-17(13)25/h12-15H,6-9,11H2,1-5H3,(H,21,25)(H,22,26)(H,23,24)/t13-,14-,15-/m0/s1
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n/an/an/an/a 4.49E+4n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510078
PNG
(WO2021250648, Example 30)
Show SMILES CN(C)[C@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)c1ccccc1
Show InChI InChI=1S/C24H35N5O3/c1-24(2,3)14-19(22(31)27-18(15-25)13-17-11-12-26-21(17)30)28-23(32)20(29(4)5)16-9-7-6-8-10-16/h6-10,17-20H,11-14H2,1-5H3,(H,26,30)(H,27,31)(H,28,32)/t17-,18-,19-,20-/m0/s1
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n/an/an/an/a 9.37E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510086
PNG
(WO2021250648, Example 38)
Show SMILES COc1ccc(c2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C25H30F3N5O4/c1-24(2,3)11-18(23(36)31-14(12-29)9-13-7-8-30-21(13)34)33-22(35)17-10-15-19(37-4)6-5-16(20(15)32-17)25(26,27)28/h5-6,10,13-14,18,32H,7-9,11H2,1-4H3,(H,30,34)(H,31,36)(H,33,35)/t13-,14-,18-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM509848
PNG
(US11124497, Compound 361)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
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n/an/an/an/a 2.68E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510119
PNG
(WO2021250648, Example 71)
Show SMILES Cc1nc(sc1C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C20H26F3N5O3S/c1-10-14(32-18(26-10)20(21,22)23)17(31)28-13(8-19(2,3)4)16(30)27-12(9-24)7-11-5-6-25-15(11)29/h11-13H,5-8H2,1-4H3,(H,25,29)(H,27,30)(H,28,31)/t11-,12-,13-/m0/s1
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n/an/an/an/a 4.99E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510123
PNG
((2S,4R)-4-tert-Butyl-N-{(1S)-1-cyano-2-[(3S)-2-oxo...)
Show SMILES CC(C)[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1CC[C@H](C[C@@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(C)(C)C
Show InChI InChI=1S/C23H36F3N5O5S/c1-13(2)18(30-37(35,36)23(24,25)26)21(34)31-9-7-15(22(3,4)5)11-17(31)20(33)29-16(12-27)10-14-6-8-28-19(14)32/h13-18,30H,6-11H2,1-5H3,(H,28,32)(H,29,33)/t14-,15+,16-,17+,18-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510128
PNG
(N-(Trifluoroacetyl)-L-valyl-(4R)-N-{(1S)-1-cyano-2...)
Show SMILES CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(F)(F)F
Show InChI InChI=1S/C20H25F6N5O4/c1-9(2)14(30-18(35)20(24,25)26)17(34)31-8-11(19(21,22)23)6-13(31)16(33)29-12(7-27)5-10-3-4-28-15(10)32/h9-14H,3-6,8H2,1-2H3,(H,28,32)(H,29,33)(H,30,35)/t10-,11+,12-,13-,14-/m0/s1
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n/an/an/an/a 158n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510139
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC(C)(C)[C@H](NC(=O)COc1ccc(F)cc1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C
Show InChI InChI=1S/C29H38FN5O5/c1-28(2,3)24(34-21(36)15-40-19-8-6-17(30)7-9-19)27(39)35-14-20-22(29(20,4)5)23(35)26(38)33-18(13-31)12-16-10-11-32-25(16)37/h6-9,16,18,20,22-24H,10-12,14-15H2,1-5H3,(H,32,37)(H,33,38)(H,34,36)/t16-,18-,20-,22-,23-,24+/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510051
PNG
(N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl...)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C21H26Cl2N4O3/c1-21(2,3)10-16(27-20(30)17-14(22)5-4-6-15(17)23)19(29)26-13(11-24)9-12-7-8-25-18(12)28/h4-6,12-13,16H,7-10H2,1-3H3,(H,25,28)(H,26,29)(H,27,30)/t12-,13-,16-/m0/s1
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n/an/an/an/a 6.74E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510067
PNG
(N-[(2S)-1-({(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-...)
Show SMILES COc1c(F)ccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(F)c12
Show InChI InChI=1S/C23H27F2N5O4/c1-11(2)8-16(22(32)28-13(10-26)9-12-6-7-27-21(12)31)30-23(33)19-18(25)17-15(29-19)5-4-14(24)20(17)34-3/h4-5,11-13,16,29H,6-9H2,1-3H3,(H,27,31)(H,28,32)(H,30,33)/t12-,13-,16-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510068
PNG
(N-[(2S)-1-({(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidin-...)
Show SMILES COc1ccc(F)c2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H30FN5O4/c1-24(2,3)11-18(23(33)28-14(12-26)9-13-7-8-27-21(13)31)30-22(32)17-10-15-19(34-4)6-5-16(25)20(15)29-17/h5-6,10,13-14,18,29H,7-9,11H2,1-4H3,(H,27,31)(H,28,33)(H,30,32)/t13-,14-,18-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510074
PNG
(WO2021250648, Example 26)
Show SMILES CC(C)(C)C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C21H34N4O3/c1-21(2,3)12-17(25-19(27)14-7-5-4-6-8-14)20(28)24-16(13-22)11-15-9-10-23-18(15)26/h14-17H,4-12H2,1-3H3,(H,23,26)(H,24,28)(H,25,27)/t15-,16+,17-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510079
PNG
(WO2021250648, Example 31)
Show SMILES CC(C)(C)C[C@H](NC(=O)[C@H]1CC[C@@H](CC1)C#N)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H33N5O3/c1-22(2,3)11-18(27-20(29)15-6-4-14(12-23)5-7-15)21(30)26-17(13-24)10-16-8-9-25-19(16)28/h14-18H,4-11H2,1-3H3,(H,25,28)(H,26,30)(H,27,29)/t14-,15-,16-,17-,18-/m0/s1
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n/an/an/an/a 4.07E+4n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510092
PNG
(WO2021250648, Example 44)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccc(cc2[nH]1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H26F3N5O3/c1-12(2)7-18(21(33)29-16(11-27)8-14-5-6-28-20(14)32)31-22(34)19-9-13-3-4-15(23(24,25)26)10-17(13)30-19/h3-4,9-10,12,14,16,18,30H,5-8H2,1-2H3,(H,28,32)(H,29,33)(H,31,34)/t14-,16-,18-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510126
PNG
((1R,2S,5S)-N-{(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidi...)
Show SMILES CNC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C23H36N6O4/c1-22(2,3)17(28-21(33)25-6)20(32)29-11-14-15(23(14,4)5)16(29)19(31)27-13(10-24)9-12-7-8-26-18(12)30/h12-17H,7-9,11H2,1-6H3,(H,26,30)(H,27,31)(H2,25,28,33)/t12-,13-,14-,15-,16-,17+/m0/s1
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n/an/an/an/a 2.74E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510129
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3R)-5-hydroxy-2-oxo...)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CC(O)NC1=O)C#N)C2(C)C
Show InChI InChI=1S/C23H32F3N5O5/c1-21(2,3)16(30-20(36)23(24,25)26)19(35)31-9-12-14(22(12,4)5)15(31)18(34)28-11(8-27)6-10-7-13(32)29-17(10)33/h10-16,32H,6-7,9H2,1-5H3,(H,28,34)(H,29,33)(H,30,36)/t10-,11+,12+,13?,14+,15+,16-/m1/s1
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n/an/an/an/a 690n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510133
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3R)-2,5-dioxopyrrol...)
Show SMILES CC(C)(CO)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CC(=O)NC1=O)C#N)C2(C)C
Show InChI InChI=1S/C23H30F3N5O6/c1-21(2,9-32)16(30-20(37)23(24,25)26)19(36)31-8-12-14(22(12,3)4)15(31)18(35)28-11(7-27)5-10-6-13(33)29-17(10)34/h10-12,14-16,32H,5-6,8-9H2,1-4H3,(H,28,35)(H,30,37)(H,29,33,34)/t10-,11+,12+,14+,15+,16-/m1/s1
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n/an/an/an/a 334n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510135
PNG
(WO2021250648, Example 87)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H](NS(=O)(=O)C(F)(F)F)C1CCCCC1
Show InChI InChI=1S/C24H34F3N5O5S/c1-23(2)16-12-32(19(17(16)23)21(34)30-15(11-28)10-14-8-9-29-20(14)33)22(35)18(13-6-4-3-5-7-13)31-38(36,37)24(25,26)27/h13-19,31H,3-10,12H2,1-2H3,(H,29,33)(H,30,34)/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/an/an/a 230n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510145
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC[C@@H]([C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C[C@@H]1CCNC1=O)C#N)C2(C)C)C(F)(F)F
Show InChI InChI=1S/C23H29F6N5O4/c1-4-12(22(24,25)26)15(33-20(38)23(27,28)29)19(37)34-9-13-14(21(13,2)3)16(34)18(36)32-11(8-30)7-10-5-6-31-17(10)35/h10-16H,4-7,9H2,1-3H3,(H,31,35)(H,32,36)(H,33,38)/t10-,11+,12-,13-,14-,15-,16-/m0/s1
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n/an/an/an/a 82n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM496896
PNG
(WO2021250648, Example 4 | science.abl4784, 2)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H29N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/t14-,15-,18-/m0/s1
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n/an/an/an/a 1.36E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510070
PNG
(N-[(2S)-1-({(1 S)-1-Cyano-2-[(3S)-2- oxopyrrolidin...)
Show SMILES COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(F)c12
Show InChI InChI=1S/C24H30FN5O4/c1-24(2,3)11-16(22(32)28-14(12-26)10-13-8-9-27-21(13)31)30-23(33)20-19(25)18-15(29-20)6-5-7-17(18)34-4/h5-7,13-14,16,29H,8-11H2,1-4H3,(H,27,31)(H,28,32)(H,30,33)/t13-,14-,16-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510073
PNG
(WO2021250648, Example 25)
Show SMILES CC(C)(C)C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C21H34N4O3/c1-21(2,3)12-17(25-19(27)14-7-5-4-6-8-14)20(28)24-16(13-22)11-15-9-10-23-18(15)26/h14-17H,4-12H2,1-3H3,(H,23,26)(H,24,28)(H,25,27)/t15-,16-,17-/m0/s1
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n/an/an/an/a 3.70E+4n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510076
PNG
(WO2021250648, Example 28)
Show SMILES CC(C)(C)C[C@H](NC(=O)COC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C22H36N4O4/c1-22(2,3)12-18(26-19(27)14-30-17-7-5-4-6-8-17)21(29)25-16(13-23)11-15-9-10-24-20(15)28/h15-18H,4-12,14H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/t15-,16-,18-/m0/s1
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n/an/an/an/a 7.26E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510083
PNG
(WO2021250648, Example 35)
Show SMILES Cc1nn(C)c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C#N)c1Cl
Show InChI InChI=1S/C20H29ClN6O3/c1-11-15(21)16(27(5)26-11)19(30)25-14(9-20(2,3)4)18(29)24-13(10-22)8-12-6-7-23-17(12)28/h12-14H,6-9H2,1-5H3,(H,23,28)(H,24,29)(H,25,30)/t12-,13-,14-/m0/s1
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n/an/an/an/a 3.56E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510089
PNG
(WO2021250648, Example 41)
Show SMILES COc1cc(cc2[nH]c(C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H29F6N5O4/c1-24(2,3)10-16(22(39)35-14(11-33)7-12-5-6-34-21(12)38)37-23(40)20-19(26(30,31)32)18-15(36-20)8-13(25(27,28)29)9-17(18)41-4/h8-9,12,14,16,36H,5-7,10H2,1-4H3,(H,34,38)(H,35,39)(H,37,40)/t12-,14-,16-/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510096
PNG
(WO2021250648, Example 48)
Show SMILES COc1c(cc(c2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N)c(c12)C(F)(F)F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H26F9N5O4/c1-10(2)6-15(22(42)38-12(9-36)7-11-4-5-37-21(11)41)39-23(43)19-17(26(33,34)35)16-18(40-19)13(24(27,28)29)8-14(20(16)44-3)25(30,31)32/h8,10-12,15,40H,4-7H2,1-3H3,(H,37,41)(H,38,42)(H,39,43)/t11-,12-,15-/m0/s1
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n/an/an/an/a>3.33E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510098
PNG
(WO2021250648, Example 50)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H28F3N5O4/c1-23(2,3)11-18(22(35)30-14(12-28)9-13-7-8-29-20(13)33)32-21(34)17-10-15-16(31-17)5-4-6-19(15)36-24(25,26)27/h4-6,10,13-14,18,31H,7-9,11H2,1-3H3,(H,29,33)(H,30,35)(H,32,34)/t13-,14-,18-/m0/s1
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n/an/an/an/a 3.95E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510123
PNG
((2S,4R)-4-tert-Butyl-N-{(1S)-1-cyano-2-[(3S)-2-oxo...)
Show SMILES CC(C)[C@H](NS(=O)(=O)C(F)(F)F)C(=O)N1CC[C@H](C[C@@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(C)(C)C
Show InChI InChI=1S/C23H36F3N5O5S/c1-13(2)18(30-37(35,36)23(24,25)26)21(34)31-9-7-15(22(3,4)5)11-17(31)20(33)29-16(12-27)10-14-6-8-28-19(14)32/h13-18,30H,6-11H2,1-5H3,(H,28,32)(H,29,33)/t14-,15+,16-,17+,18-/m0/s1
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n/an/an/an/a 551n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510136
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@H](CC1CCC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N5O4/c1-23(2)15-11-32(21(35)16(8-12-4-3-5-12)31-22(36)24(25,26)27)18(17(15)23)20(34)30-14(10-28)9-13-6-7-29-19(13)33/h12-18H,3-9,11H2,1-2H3,(H,29,33)(H,30,34)(H,31,36)/t13-,14-,15-,16-,17-,18-/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510137
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H](CC1CCC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C24H32F3N5O4/c1-23(2)15-11-32(21(35)16(8-12-4-3-5-12)31-22(36)24(25,26)27)18(17(15)23)20(34)30-14(10-28)9-13-6-7-29-19(13)33/h12-18H,3-9,11H2,1-2H3,(H,29,33)(H,30,34)(H,31,36)/t13-,14-,15-,16+,17-,18-/m0/s1
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WIPO
n/an/an/an/a 40n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510056
PNG
(N-{1-Cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-N2-...)
Show SMILES COC(C1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H38N4O4/c1-23(2,3)13-18(27-22(30)19(31-4)15-8-6-5-7-9-15)21(29)26-17(14-24)12-16-10-11-25-20(16)28/h15-19H,5-13H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)/t16-,17-,18-,19?/m0/s1
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WIPO
n/an/an/an/a 5.75E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM509871
PNG
(US11124497, Compound 405)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
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WIPO
n/an/an/an/a 2.09E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510064
PNG
(N-[(2S)-1-({(1S)-1- Cyano-2-[(3S)-2-oxopyrrolidin-...)
Show SMILES COc1c(F)ccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H28FN5O4/c1-12(2)8-18(22(31)27-14(11-25)9-13-6-7-26-21(13)30)29-23(32)19-10-15-17(28-19)5-4-16(24)20(15)33-3/h4-5,10,12-14,18,28H,6-9H2,1-3H3,(H,26,30)(H,27,31)(H,29,32)/t13-,14-,18-/m0/s1
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n/an/an/an/a>2.53E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510080
PNG
(WO2021250648, Example 32)
Show SMILES CC(OC1CCCCC1)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C23H38N4O4/c1-15(31-18-8-6-5-7-9-18)20(28)27-19(13-23(2,3)4)22(30)26-17(14-24)12-16-10-11-25-21(16)29/h15-19H,5-13H2,1-4H3,(H,25,29)(H,26,30)(H,27,28)/t15?,16-,17-,19-/m0/s1
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WIPO
n/an/an/an/a 4.90E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510090
PNG
(WO2021250648, Example 42)
Show SMILES CN(C)[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H34F3N5O3/c1-24(2,3)13-19(22(35)31-18(14-29)12-16-9-10-30-21(16)34)32-23(36)20(33(4)5)15-7-6-8-17(11-15)25(26,27)28/h6-8,11,16,18-20H,9-10,12-13H2,1-5H3,(H,30,34)(H,31,35)(H,32,36)/t16-,18-,19-,20+/m0/s1
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n/an/an/an/a>333n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510093
PNG
(WO2021250648, Example 45)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2ccc(cc2[nH]1)C(F)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N
Show InChI InChI=1S/C24H28F3N5O3/c1-23(2,3)11-19(22(35)30-16(12-28)8-14-6-7-29-20(14)33)32-21(34)18-9-13-4-5-15(24(25,26)27)10-17(13)31-18/h4-5,9-10,14,16,19,31H,6-8,11H2,1-3H3,(H,29,33)(H,30,35)(H,32,34)/t14-,16-,19-/m0/s1
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n/an/an/an/a 6.42E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510134
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@H](CCC(F)(F)F)NC(=O)C(F)(F)F
Show InChI InChI=1S/C22H27F6N5O4/c1-20(2)12-9-33(18(36)13(3-5-21(23,24)25)32-19(37)22(26,27)28)15(14(12)20)17(35)31-11(8-29)7-10-4-6-30-16(10)34/h10-15H,3-7,9H2,1-2H3,(H,30,34)(H,31,35)(H,32,37)/t10-,11-,12-,13-,14-,15-/m0/s1
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n/an/an/an/a 237n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510140
PNG
(3-Methyl-N-[(4-methylphenyl)acetyl]-L-valyl-(4R)-N...)
Show SMILES Cc1ccc(CC(=O)N[C@H](C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C#N)C3(C)C)C(C)(C)C)cc1
Show InChI InChI=1S/C30H41N5O4/c1-17-7-9-18(10-8-17)13-22(36)34-25(29(2,3)4)28(39)35-16-21-23(30(21,5)6)24(35)27(38)33-20(15-31)14-19-11-12-32-26(19)37/h7-10,19-21,23-25H,11-14,16H2,1-6H3,(H,32,37)(H,33,38)(H,34,36)/t19-,20-,21-,23-,24-,25+/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510141
PNG
((1R,2S,5S)-N-{(1S)-1-Cyano-2-[(3S)-2-oxopyrrolidin...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@H](Cn1cccn1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C23H28F3N7O4/c1-22(2)14-10-33(20(36)15(11-32-7-3-5-29-32)31-21(37)23(24,25)26)17(16(14)22)19(35)30-13(9-27)8-12-4-6-28-18(12)34/h3,5,7,12-17H,4,6,8,10-11H2,1-2H3,(H,28,34)(H,30,35)(H,31,37)/t12-,13-,14-,15-,16-,17-/m0/s1
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n/an/an/an/a 882n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

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


(2019-nCoV)
BDBM510142
PNG
((1R,2S,5S)-N-{(1 S)-1-Cyano-2-[(3S)-2-oxopyrrolidi...)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@H](CC(F)F)NC(=O)C(F)(F)F
Show InChI InChI=1S/C21H26F5N5O4/c1-20(2)11-8-31(18(34)12(6-13(22)23)30-19(35)21(24,25)26)15(14(11)20)17(33)29-10(7-27)5-9-3-4-28-16(9)32/h9-15H,3-6,8H2,1-2H3,(H,28,32)(H,29,33)(H,30,35)/t9-,10-,11-,12-,14-,15-/m0/s1
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n/an/an/an/a 379n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The ability of compounds to prevent SARS-CoV-2 coronavirus-induced cell death or cytopathic effect can be assessed via cell viability, using an assay...


WIPO WO2021250648A1 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%