Compile Data Set for Download or QSAR
Found 754 with Last Name = 'pettersson' and Initial = 'my'
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer Inc.

WIPO
LigandPNGBDBM420298(PF-00835231 | PF-0835231 | US11524940, Compound 74...)
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(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
Affinity DataKi:  0.0300nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer Inc.

WIPO
LigandPNGBDBM420298(PF-00835231 | PF-0835231 | US11524940, Compound 74...)
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(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
Affinity DataKi:  0.0300nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(Feline coronavirus (strain FIPV WSU-79/1146) (FCoV...)
Pfizer Inc.

WIPO
LigandPNGBDBM420298(PF-00835231 | PF-0835231 | US11524940, Compound 74...)
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(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
Affinity DataKi:  0.100nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(PEDV)
Pfizer Inc.

WIPO
LigandPNGBDBM420298(PF-00835231 | PF-0835231 | US11524940, Compound 74...)
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(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
Affinity DataKi:  0.300nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
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TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529895(US11203594, Example 5)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C21H27N3O4/c1-12-15-10-22-19(23-16-7-8-28-11-18(16)26)9-17(15)24(14-5-3-4-6-14)21(27)20(12)13(2)25/h9-10,14,16,18,26H,3-8,11H2,1-2H3,(H,22,23)/t16-,18-/m1/s1
Affinity DataKi:  0.400nMAssay Description:The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1ab(HCoV-OC43)
Pfizer Inc.

WIPO
LigandPNGBDBM420298(PF-00835231 | PF-0835231 | US11524940, Compound 74...)
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(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
Affinity DataKi:  0.5nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(HCoV-NL63)
Pfizer Inc.

WIPO
LigandPNGBDBM420298(PF-00835231 | PF-0835231 | US11524940, Compound 74...)
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(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
Affinity DataKi:  0.800nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer Inc.

WIPO
LigandPNGBDBM420298(PF-00835231 | PF-0835231 | US11524940, Compound 74...)
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(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
Affinity DataKi:  0.800nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529784(US11203594, Example 2)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C20H26N4O4/c1-11-14-9-21-20(22-15-7-8-28-10-16(15)26)23-18(14)24(13-5-3-4-6-13)19(27)17(11)12(2)25/h9,13,15-16,26H,3-8,10H2,1-2H3,(H,21,22,23)/t15-,16-/m1/s1
Affinity DataKi:  0.800nMAssay Description:The purpose CDK4/Cyclin D1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitors by us...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1ab(HCoV-HKU1)
Pfizer Inc.

WIPO
LigandPNGBDBM420298(PF-00835231 | PF-0835231 | US11524940, Compound 74...)
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(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
Affinity DataKi:  0.900nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
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TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529904(US11203594, Example 14 | US11203594, Example 15)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCC(O)C2)c1=O
Show InChI InChI=1S/C21H27N3O5/c1-11-15-9-22-19(23-16-5-6-29-10-18(16)27)8-17(15)24(13-3-4-14(26)7-13)21(28)20(11)12(2)25/h8-9,13-14,16,18,26-27H,3-7,10H2,1-2H3,(H,22,23)/t13?,14?,16-,18-/m1/s1
Affinity DataKi:  0.900nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM510127(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
Affinity DataKi:  1nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529893(US11203594, Example 3)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC3(CNC3)C2)c1=O
Show InChI InChI=1S/C21H27N5O4/c1-11-14-7-23-20(24-15-3-4-30-8-16(15)28)25-18(14)26(19(29)17(11)12(2)27)13-5-21(6-13)9-22-10-21/h7,13,15-16,22,28H,3-6,8-10H2,1-2H3,(H,23,24,25)/t15-,16-/m1/s1
Affinity DataKi:  1.10nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529784(US11203594, Example 2)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C20H26N4O4/c1-11-14-9-21-20(22-15-7-8-28-10-16(15)26)23-18(14)24(13-5-3-4-6-13)19(27)17(11)12(2)25/h9,13,15-16,26H,3-8,10H2,1-2H3,(H,21,22,23)/t15-,16-/m1/s1
Affinity DataKi:  1.20nMAssay Description:The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1ab(MHV-A59)
Pfizer Inc.

WIPO
LigandPNGBDBM420298(PF-00835231 | PF-0835231 | US11524940, Compound 74...)
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(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
Affinity DataKi:  1.20nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529895(US11203594, Example 5)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C21H27N3O4/c1-12-15-10-22-19(23-16-7-8-28-11-18(16)26)9-17(15)24(14-5-3-4-6-14)21(27)20(12)13(2)25/h9-10,14,16,18,26H,3-8,11H2,1-2H3,(H,22,23)/t16-,18-/m1/s1
Affinity DataKi:  1.30nMAssay Description:The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1ab(HCoV-229E)
Pfizer Inc.

WIPO
LigandPNGBDBM420298(PF-00835231 | PF-0835231 | US11524940, Compound 74...)
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(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
Affinity DataKi:  1.5nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529894(US11203594, Example 4)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O
Show InChI InChI=1S/C21H28N4O4/c1-11-5-4-6-16(11)25-19-14(12(2)18(13(3)26)20(25)28)9-22-21(24-19)23-15-7-8-29-10-17(15)27/h9,11,15-17,27H,4-8,10H2,1-3H3,(H,22,23,24)/t11-,15+,16+,17+/m0/s1
Affinity DataKi:  1.60nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529656(US11203594, Example 1)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CCC2)c1=O
Show InChI InChI=1S/C19H24N4O4/c1-10-13-8-20-19(21-14-6-7-27-9-15(14)25)22-17(13)23(12-4-3-5-12)18(26)16(10)11(2)24/h8,12,14-15,25H,3-7,9H2,1-2H3,(H,20,21,22)/t14-,15-/m1/s1
Affinity DataKi:  1.80nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529919(US11203594, Example 29)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC3(C2)CN(CC(F)F)C3)c1=O
Show InChI InChI=1S/C23H29F2N5O4/c1-12-15-7-26-22(27-16-3-4-34-9-17(16)32)28-20(15)30(21(33)19(12)13(2)31)14-5-23(6-14)10-29(11-23)8-18(24)25/h7,14,16-18,32H,3-6,8-11H2,1-2H3,(H,26,27,28)/t16-,17-/m1/s1
Affinity DataKi:  1.90nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM510063(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
Affinity DataKi:  2nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529656(US11203594, Example 1)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CCC2)c1=O
Show InChI InChI=1S/C19H24N4O4/c1-10-13-8-20-19(21-14-6-7-27-9-15(14)25)22-17(13)23(12-4-3-5-12)18(26)16(10)11(2)24/h8,12,14-15,25H,3-7,9H2,1-2H3,(H,20,21,22)/t14-,15-/m1/s1
Affinity DataKi:  2nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529893(US11203594, Example 3)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC3(CNC3)C2)c1=O
Show InChI InChI=1S/C21H27N5O4/c1-11-14-7-23-20(24-15-3-4-30-8-16(15)28)25-18(14)26(19(29)17(11)12(2)27)13-5-21(6-13)9-22-10-21/h7,13,15-16,22,28H,3-6,8-10H2,1-2H3,(H,23,24,25)/t15-,16-/m1/s1
Affinity DataKi:  2.10nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529894(US11203594, Example 4)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O
Show InChI InChI=1S/C21H28N4O4/c1-11-5-4-6-16(11)25-19-14(12(2)18(13(3)26)20(25)28)9-22-21(24-19)23-15-7-8-29-10-17(15)27/h9,11,15-17,27H,4-8,10H2,1-3H3,(H,22,23,24)/t11-,15+,16+,17+/m0/s1
Affinity DataKi:  2.10nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529902(US11203594, Example 12 | US11203594, Example 13)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@@H]2CC[C@@H]3C[C@H]23)c1=O
Show InChI InChI=1S/C21H26N4O4/c1-10-14-8-22-21(23-15-5-6-29-9-17(15)27)24-19(14)25(20(28)18(10)11(2)26)16-4-3-12-7-13(12)16/h8,12-13,15-17,27H,3-7,9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,16-,17-/m1/s1
Affinity DataKi:  2.10nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529906(US11203594, Example 16 | US11203594, Example 17)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@@H]2CCC[C@]2(C)F)c1=O
Show InChI InChI=1S/C21H27FN4O4/c1-11-13-9-23-20(24-14-6-8-30-10-15(14)28)25-18(13)26(19(29)17(11)12(2)27)16-5-4-7-21(16,3)22/h9,14-16,28H,4-8,10H2,1-3H3,(H,23,24,25)/t14-,15-,16-,21+/m1/s1
Affinity DataKi:  2.60nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529904(US11203594, Example 14 | US11203594, Example 15)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCC(O)C2)c1=O
Show InChI InChI=1S/C21H27N3O5/c1-11-15-9-22-19(23-16-5-6-29-10-18(16)27)8-17(15)24(13-3-4-14(26)7-13)21(28)20(11)12(2)25/h8-9,13-14,16,18,26-27H,3-7,10H2,1-2H3,(H,22,23)/t13?,14?,16-,18-/m1/s1
Affinity DataKi:  2.60nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529898(US11203594, Example 8 | US11203594, Example 9)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC(C)(C)[C@H]3O)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C22H30N4O4/c1-12-15-11-23-21(24-16-9-10-30-22(3,4)18(16)28)25-19(15)26(14-7-5-6-8-14)20(29)17(12)13(2)27/h11,14,16,18,28H,5-10H2,1-4H3,(H,23,24,25)/t16-,18+/m1/s1
Affinity DataKi:  2.70nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529900(US11203594, Example 10)
Show SMILES CC[C@H]1CCC[C@H]1n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O
Show InChI InChI=1S/C22H30N4O4/c1-4-14-6-5-7-17(14)26-20-15(12(2)19(13(3)27)21(26)29)10-23-22(25-20)24-16-8-9-30-11-18(16)28/h10,14,16-18,28H,4-9,11H2,1-3H3,(H,23,24,25)/t14-,16+,17+,18+/m0/s1
Affinity DataKi:  2.70nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529912(US11203594, Example 22)
Show SMILES Cc1cc(=O)[nH]c2nc(N[C@@H]3CCOC[C@H]3O)nc([C@@H]3CCC[C@]3(C)F)c12
Show InChI InChI=1S/C19H25FN4O3/c1-10-8-14(26)22-17-15(10)16(11-4-3-6-19(11,2)20)23-18(24-17)21-12-5-7-27-9-13(12)25/h8,11-13,25H,3-7,9H2,1-2H3,(H2,21,22,23,24,26)/t11-,12+,13+,19-/m0/s1
Affinity DataKi:  2.80nMAssay Description:The purpose of the CDK6/Cyclin D3 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) in the presence of small molecule inhibitor...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM510129((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
Affinity DataKi:  3nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM496902(PF-07321332 | US11351149, Example 13 | WO202125064...)
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
Affinity DataKi:  3nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM556419(US11351149, Example 95)
Show SMILES COC(=O)N[C@H](C(=O)N([C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H]1C[C@H](CN1)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C21H30F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29(13(9-25)7-11-5-6-26-16(11)30)17(31)14-8-12(10-27-14)21(22,23)24/h11-15,27H,5-8,10H2,1-4H3,(H,26,30)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1
Affinity DataKi:  3nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM510132((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
Affinity DataKi:  3nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529902(US11203594, Example 12 | US11203594, Example 13)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@@H]2CC[C@@H]3C[C@H]23)c1=O
Show InChI InChI=1S/C21H26N4O4/c1-10-14-8-22-21(23-15-5-6-29-9-17(15)27)24-19(14)25(20(28)18(10)11(2)26)16-4-3-12-7-13(12)16/h8,12-13,15-17,27H,3-7,9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,16-,17-/m1/s1
Affinity DataKi:  3.30nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529904(US11203594, Example 14 | US11203594, Example 15)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)cc2n(C2CCC(O)C2)c1=O
Show InChI InChI=1S/C21H27N3O5/c1-11-15-9-22-19(23-16-5-6-29-10-18(16)27)8-17(15)24(13-3-4-14(26)7-13)21(28)20(11)12(2)25/h8-9,13-14,16,18,26-27H,3-7,10H2,1-2H3,(H,22,23)/t13?,14?,16-,18-/m1/s1
Affinity DataKi:  3.80nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM556398(US11351149, Example 77)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N([C@@H](C[C@@H]1CCNC1=O)C#N)C(=O)[C@@H]1C[C@H](CN1)C(F)(F)F
Show InChI InChI=1S/C21H27F6N5O4/c1-19(2,3)14(31-18(36)21(25,26)27)17(35)32(12(8-28)6-10-4-5-29-15(10)33)16(34)13-7-11(9-30-13)20(22,23)24/h10-14,30H,4-7,9H2,1-3H3,(H,29,33)(H,31,36)/t10-,11+,12-,13-,14+/m0/s1
Affinity DataKi:  4nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM556406(US11351149, Example 85)
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/C23H30F3N5O5/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/h10-12,14-16H,6-7,9H2,1-5H3,(H,28,34)(H,30,36)(H,29,32,33)/t10-,11+,12+,14+,15+,16-/m1/s1
Affinity DataKi:  4nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM556413(US11351149, Example 92)
Show SMILES Cc1ccc(CC(=O)N[C@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C#N)C(F)(F)F)C(C)(C)C)cc1
Show InChI InChI=1S/C28H36F3N5O4/c1-16-5-7-17(8-6-16)11-22(37)35-23(27(2,3)4)26(40)36-15-19(28(29,30)31)13-21(36)25(39)34-20(14-32)12-18-9-10-33-24(18)38/h5-8,18-21,23H,9-13,15H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)/t18-,19+,20-,21-,23+/m0/s1
Affinity DataKi:  4nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1ab(IBV)
Pfizer Inc.

WIPO
LigandPNGBDBM420298(PF-00835231 | PF-0835231 | US11524940, Compound 74...)
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(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
Affinity DataKi:  4nMAssay Description:Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529909(US11203594, Example 19)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC(C)(C)C2)c1=O
Show InChI InChI=1S/C21H28N4O4/c1-11-14-9-22-20(23-15-5-6-29-10-16(15)27)24-18(14)25(13-7-21(3,4)8-13)19(28)17(11)12(2)26/h9,13,15-16,27H,5-8,10H2,1-4H3,(H,22,23,24)/t15-,16-/m1/s1
Affinity DataKi:  4.20nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 4/G1/S-specific cyclin-D1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529909(US11203594, Example 19)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC(C)(C)C2)c1=O
Show InChI InChI=1S/C21H28N4O4/c1-11-14-9-22-20(23-15-5-6-29-10-16(15)27)24-18(14)25(13-7-21(3,4)8-13)19(28)17(11)12(2)26/h9,13,15-16,27H,5-8,10H2,1-4H3,(H,22,23,24)/t15-,16-/m1/s1
Affinity DataKi:  4.5nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529919(US11203594, Example 29)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n(C2CC3(C2)CN(CC(F)F)C3)c1=O
Show InChI InChI=1S/C23H29F2N5O4/c1-12-15-7-26-22(27-16-3-4-34-9-17(16)32)28-20(15)30(21(33)19(12)13(2)31)14-5-23(6-14)10-29(11-23)8-18(24)25/h7,14,16-18,32H,3-6,8-11H2,1-2H3,(H,26,27,28)/t16-,17-/m1/s1
Affinity DataKi:  4.90nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529900(US11203594, Example 10)
Show SMILES CC[C@H]1CCC[C@H]1n1c2nc(N[C@@H]3CCOC[C@H]3O)ncc2c(C)c(C(C)=O)c1=O
Show InChI InChI=1S/C22H30N4O4/c1-4-14-6-5-7-17(14)26-20-15(12(2)19(13(3)27)21(26)29)10-23-22(25-20)24-16-8-9-30-11-18(16)28/h10,14,16-18,28H,4-9,11H2,1-3H3,(H,23,24,25)/t14-,16+,17+,18+/m0/s1
Affinity DataKi:  5nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM510068(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
Affinity DataKi:  5nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529906(US11203594, Example 16 | US11203594, Example 17)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC[C@H]3O)nc2n([C@@H]2CCC[C@]2(C)F)c1=O
Show InChI InChI=1S/C21H27FN4O4/c1-11-13-9-23-20(24-14-6-8-30-10-15(14)28)25-18(13)26(19(29)17(11)12(2)27)16-5-4-7-21(16,3)22/h9,14-16,28H,4-8,10H2,1-3H3,(H,23,24,25)/t14-,15-,16-,21+/m1/s1
Affinity DataKi:  5nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM510126((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
Affinity DataKi:  5nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM510136((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
Affinity DataKi:  6nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 6/G1/S-specific cyclin-D3(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM529898(US11203594, Example 8 | US11203594, Example 9)
Show SMILES CC(=O)c1c(C)c2cnc(N[C@@H]3CCOC(C)(C)[C@H]3O)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C22H30N4O4/c1-12-15-11-23-21(24-16-9-10-30-22(3,4)18(16)28)25-19(15)26(14-7-5-6-8-14)20(29)17(12)13(2)27/h11,14,16,18,28H,5-10H2,1-4H3,(H,23,24,25)/t16-,18+/m1/s1
Affinity DataKi:  6.70nMAssay Description:CDK4/Cyclin D1 and CDK6/Cylcin D3: The Chelation-Enhanced Fluorescence (CHEF) monitors the phosphorylation state in real time where the level of fluo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM510139((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
Affinity DataKi:  7nMAssay Description:The proteolytic activity of the main protease, 3CLpro, of SARS-CoV-2 was monitored using a continuous fluorescence resonance energy transfer (FRET) a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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