Compile Data Set for Download or QSAR
Found 622 with Last Name = 'sammons' and Initial = 'mf'
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
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TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

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:  0.270nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...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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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
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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
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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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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
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
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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
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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
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
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
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
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 1ab(2019-nCoV)
Pfizer

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:  3.11nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
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
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 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
TargetGlucagon receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50360584(CHEMBL1933350)
Show SMILES CCC[C@@H]([C@@H](c1c[nH]c2c(F)cc(C)cc12)c1ccc(Cl)cc1)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C30H30ClFN2O3/c1-3-4-23(19-5-7-21(8-6-19)30(37)33-14-13-27(35)36)28(20-9-11-22(31)12-10-20)25-17-34-29-24(25)15-18(2)16-26(29)32/h5-12,15-17,23,28,34H,3-4,13-14H2,1-2H3,(H,33,37)(H,35,36)/t23-,28+/m1/s1
Affinity DataKi:  4nMAssay Description:Displacement of [125I]Glucagon-Cex from human GCGRMore data for this Ligand-Target Pair
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 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
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
TargetGlucagon receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM2437(US8507533, 157)
Show SMILES CC1(C)CC(C1)C(Nc1cnc(nc1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C25H27F3N6O3/c1-24(2)9-17(10-24)21(15-3-5-16(6-4-15)22(37)29-8-7-20(35)36)33-19-12-30-23(31-13-19)34-14-18(11-32-34)25(26,27)28/h3-6,11-14,17,21,33H,7-10H2,1-2H3,(H,29,37)(H,35,36)
Affinity DataKi:  5.60nMAssay Description:Displacement of [125I]-glucagon from human glucagon receptor expressed in Chem-1 cell membranes after 6 to 10 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
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
TargetMineralocorticoid receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50398061(CHEMBL2181928)
Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1
Show InChI InChI=1S/C18H19N3O3/c1-12-9-21(14(10-23-12)13-5-3-2-4-6-13)16-8-7-15-18(19-16)20-17(22)11-24-15/h2-8,12,14H,9-11H2,1H3,(H,19,20,22)/t12-,14+/m1/s1
Affinity DataKi:  6.30nMAssay Description:Displacement of [3H]-aldosterone from human GST-tagged MR ligand binding domain after 4 hrs by liquid scintillation countingMore data for this Ligand-Target Pair
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
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM510137((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:  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
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496900(science.abl4784, 4)
Show SMILES CC(C)[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H]([C@@H]1C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C
Show InChI InChI=1S/C28H37N5O6S2/c1-14(2)21(32-41(5,38)39)27(37)33-13-16-20(28(16,3)4)22(33)25(36)30-18(12-15-10-11-29-24(15)35)23(34)26-31-17-8-6-7-9-19(17)40-26/h6-9,14-16,18,20-22,32H,10-13H2,1-5H3,(H,29,35)(H,30,36)/t15-,16-,18-,20-,21+,22-/m1/s1
Affinity DataKi:  7.93nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM556422(US11351149, Example 97 | US11351149, Example 98)
Show SMILES CCC(C(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
Affinity DataKi:  11nMAssay 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
LigandPNGBDBM510141((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
Affinity DataKi:  11nMAssay 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
TargetGlucagon receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50433595(CHEMBL2381827)
Show SMILES CCCC(Nc1cc(C)c(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H29F3N4O3/c1-4-5-22(18-6-8-19(9-7-18)25(36)30-11-10-23(34)35)32-21-12-16(2)24(17(3)13-21)33-15-20(14-31-33)26(27,28)29/h6-9,12-15,22,32H,4-5,10-11H2,1-3H3,(H,30,36)(H,34,35)
Affinity DataKi:  12nMAssay Description:Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albuminMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM496901(science.abl4784, 5)
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(=O)c1nc3ccccc3s1)C2(C)C
Show InChI InChI=1S/C29H34F3N5O5S/c1-13(2)20(36-27(42)29(30,31)32)26(41)37-12-15-19(28(15,3)4)21(37)24(40)34-17(11-14-9-10-33-23(14)39)22(38)25-35-16-7-5-6-8-18(16)43-25/h5-8,13-15,17,19-21H,9-12H2,1-4H3,(H,33,39)(H,34,40)(H,36,42)/t14-,15-,17-,19-,20+,21-/m1/s1
Affinity DataKi:  12nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM510048((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
Affinity DataKi:  13nMAssay 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
LigandPNGBDBM510141((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
Affinity DataKi:  14nMAssay 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
TargetGlucagon receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM142039(US8927577, 118 | US8927577, 20 | US8927577, 35)
Show SMILES Cc1cc2cc(F)ccc2nc1NC(C1CC(C)(C)C1)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C27H30FN3O3/c1-16-12-19-13-21(28)8-9-22(19)30-25(16)31-24(20-14-27(2,3)15-20)17-4-6-18(7-5-17)26(34)29-11-10-23(32)33/h4-9,12-13,20,24H,10-11,14-15H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)
Affinity DataKi:  14nMAssay Description:Displacement of [125I]-glucagon from human glucagon receptor expressed in Chem-1 cell membranes after 6 to 10 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
TargetGlucagon receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50433577(CHEMBL2381848)
Show SMILES CCC[C@H](Oc1cc(C)c(c(C)c1)-n1cc(cn1)C(F)(F)F)c1ccc(cc1)C(=O)NCCC(O)=O
Show InChI InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1
Affinity DataKi:  14nMAssay Description:Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albuminMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM556411(US11351149, Example 90)
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
Affinity DataKi:  15nMAssay 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
TargetGlucagon receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50119555(CHEMBL3617571)
Show SMILES CC(C)C[C@H](Nc1ccc(cn1)C(=O)NCCC(O)=O)c1cnc(nc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N5O3/c1-15(2)11-20(33-21-8-5-17(12-30-21)24(36)29-10-9-22(34)35)18-13-31-23(32-14-18)16-3-6-19(7-4-16)25(26,27)28/h3-8,12-15,20H,9-11H2,1-2H3,(H,29,36)(H,30,33)(H,34,35)/t20-/m0/s1
Affinity DataKi:  15nMAssay Description:Displacement of [125I]-glucagon from human glucagon receptor expressed in Chem-1 cell membranes after 6 to 10 hrs by scintillation proximity assayMore data for this Ligand-Target Pair
TargetGlucagon receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50360599(CHEMBL1933365)
Show SMILES OC(=O)CCNC(=O)c1ccc(cc1)C(Nc1cnn(c1)-c1ccc(cc1)C(F)(F)F)C1CCCC1
Show InChI InChI=1S/C26H27F3N4O3/c27-26(28,29)20-9-11-22(12-10-20)33-16-21(15-31-33)32-24(17-3-1-2-4-17)18-5-7-19(8-6-18)25(36)30-14-13-23(34)35/h5-12,15-17,24,32H,1-4,13-14H2,(H,30,36)(H,34,35)
Affinity DataKi:  17nMAssay Description:Displacement of [125I]Glucagon-Cex from human GCGRMore data for this Ligand-Target Pair
TargetGlucagon receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM123557(US8748624, 43)
Show SMILES Cc1cc(ccc1-c1ccc(NCc2ccc(cc2-c2ccc(nc2)C(=O)NCCC(O)=O)C(F)(F)F)cc1Cl)C(F)(F)F
Show InChI InChI=1S/C31H24ClF6N3O3/c1-17-12-20(30(33,34)35)5-7-23(17)24-8-6-22(14-26(24)32)40-15-18-2-4-21(31(36,37)38)13-25(18)19-3-9-27(41-16-19)29(44)39-11-10-28(42)43/h2-9,12-14,16,40H,10-11,15H2,1H3,(H,39,44)(H,42,43)
Affinity DataKi:  17nMAssay Description:Displacement of [125I]-glucagon from full length human glucagon receptor expressed in HEK293 cell membranes after 2 hrs by scintillation counting ana...More data for this Ligand-Target Pair
TargetGlucagon receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50360599(CHEMBL1933365)
Show SMILES OC(=O)CCNC(=O)c1ccc(cc1)C(Nc1cnn(c1)-c1ccc(cc1)C(F)(F)F)C1CCCC1
Show InChI InChI=1S/C26H27F3N4O3/c27-26(28,29)20-9-11-22(12-10-20)33-16-21(15-31-33)32-24(17-3-1-2-4-17)18-5-7-19(8-6-18)25(36)30-14-13-23(34)35/h5-12,15-17,24,32H,1-4,13-14H2,(H,30,36)(H,34,35)
Affinity DataKi:  17nMAssay Description:Displacement of [125I]Glucagon-Cex from human GCGRMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM556396((2S,4R)-4-tert-Butyl-N-{(1S)-1-cyano-2-[(3S)-2-oxo...)
Show SMILES CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC
Show InChI InChI=1S/C48H6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H3
Affinity DataKi:  17nMAssay 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
LigandPNGBDBM556407(US11351149, Example 86)
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(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
Affinity DataKi:  18nMAssay 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
LigandPNGBDBM510064(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
Affinity DataKi:  18nMAssay 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
LigandPNGBDBM510066(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
Affinity DataKi:  19nMAssay 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
TargetGlucagon receptor(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50119557(CHEMBL3617575)
Show SMILES Cc1cc(Cl)ccc1-c1ccc(NCc2cc(Cl)cc(c2-c2ccc(nc2)C(=O)NCCC(O)=O)C(F)(F)F)cc1
Show InChI InChI=1S/C30H24Cl2F3N3O3/c1-17-12-21(31)5-8-24(17)18-2-6-23(7-3-18)37-16-20-13-22(32)14-25(30(33,34)35)28(20)19-4-9-26(38-15-19)29(41)36-11-10-27(39)40/h2-9,12-15,37H,10-11,16H2,1H3,(H,36,41)(H,39,40)
Affinity DataKi:  20nMAssay Description:Displacement of [125I]-glucagon from full length human glucagon receptor expressed in HEK293 cell membranes after 2 hrs by scintillation counting ana...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1a(2019-nCoV)
Pfizer Inc.

US Patent
LigandPNGBDBM510071(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
Affinity DataKi:  21nMAssay 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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