Compile Data Set for Download or QSAR
Found 72 with Last Name = 'luthra' and Initial = 's'
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(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:  0.0330nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...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:  0.0340nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...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(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:  0.120nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491017(CHEMBL2377343)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(ccc1n2CCF)C#N
Show InChI InChI=1S/C23H22FN3OS/c1-3-26(4-2)23(28)22-20-17-13-15(14-25)9-10-18(17)27(12-11-24)21(20)16-7-5-6-8-19(16)29-22/h5-10,13,22H,3-4,11-12H2,1-2H3
Affinity DataKi:  0.190nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50363527(CHEMBL1945412 | US9481685, [18F]FE-PBR)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2OS/c1-3-24(4-2)22(26)21-19-15-9-5-7-11-17(15)25(14-13-23)20(19)16-10-6-8-12-18(16)27-21/h5-12,21H,3-4,13-14H2,1-2H3
Affinity DataKi:  0.220nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491024(CHEMBL2377352)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(Cl)ccc1n2CCF
Show InChI InChI=1S/C22H22ClFN2OS/c1-3-25(4-2)22(27)21-19-16-13-14(23)9-10-17(16)26(12-11-24)20(19)15-7-5-6-8-18(15)28-21/h5-10,13,21H,3-4,11-12H2,1-2H3
Affinity DataKi:  0.230nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491021(CHEMBL2377344)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(OC(F)(F)F)ccc1n2CCF
Show InChI InChI=1S/C23H22F4N2O2S/c1-3-28(4-2)22(30)21-19-16-13-14(31-23(25,26)27)9-10-17(16)29(12-11-24)20(19)15-7-5-6-8-18(15)32-21/h5-10,13,21H,3-4,11-12H2,1-2H3
Affinity DataKi:  0.260nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer Inc.

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:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM253019(US9481685, 1)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(OC)ccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-17-14-15(28-3)10-11-18(17)26(13-12-24)21(20)16-8-6-7-9-19(16)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
Affinity DataKi:  0.290nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50490998(CHEMBL2377339)
Show SMILES CCN(CC)C(=O)C1Sc2cc(OC)ccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-16-8-6-7-9-18(16)26(13-12-24)21(20)17-11-10-15(28-3)14-19(17)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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
Ligand InfoPurchasePDB
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50490999(CHEMBL2377340)
Show SMILES CCN(CC)C(=O)C1Sc2ccc(OC)cc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-16-8-6-7-9-18(16)26(13-12-24)21(20)17-14-15(28-3)10-11-19(17)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM253021(US9481685, 4)
Show SMILES CCN(CC)C(=O)C1Sc2c(F)cccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H22F2N2OS/c1-3-25(4-2)22(27)21-18-14-8-5-6-11-17(14)26(13-12-23)19(18)15-9-7-10-16(24)20(15)28-21/h5-11,21H,3-4,12-13H2,1-2H3
Affinity DataKi:  0.310nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM253022(US9481685, 5)
Show SMILES CCN(CC)C(=O)C1Sc2cc(F)ccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H22F2N2OS/c1-3-25(4-2)22(27)21-19-15-7-5-6-8-17(15)26(12-11-23)20(19)16-10-9-14(24)13-18(16)28-21/h5-10,13,21H,3-4,11-12H2,1-2H3
Affinity DataKi:  0.320nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491007(CHEMBL2377334)
Show SMILES CCN(CC)C(=O)C1Sc2cc(O)ccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2O2S/c1-3-24(4-2)22(27)21-19-15-7-5-6-8-17(15)25(12-11-23)20(19)16-10-9-14(26)13-18(16)28-21/h5-10,13,21,26H,3-4,11-12H2,1-2H3
Affinity DataKi:  0.330nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491013(CHEMBL2377338)
Show SMILES CCN(CC)C(=O)C1Sc2c(OC)cccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-19-15-9-6-7-11-17(15)26(14-13-24)20(19)16-10-8-12-18(28-3)21(16)29-22/h6-12,22H,4-5,13-14H2,1-3H3
Affinity DataKi:  0.330nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491000(CHEMBL2377345)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(C)ccc1n2CCF
Show InChI InChI=1S/C23H25FN2OS/c1-4-25(5-2)23(27)22-20-17-14-15(3)10-11-18(17)26(13-12-24)21(20)16-8-6-7-9-19(16)28-22/h6-11,14,22H,4-5,12-13H2,1-3H3
Affinity DataKi:  0.340nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491004(CHEMBL2377357)
Show SMILES CCN(CC)C(=O)C1Sc2cc(OCCF)ccc2-c2c1c1ccccc1n2C
Show InChI InChI=1S/C23H25FN2O2S/c1-4-26(5-2)23(27)22-20-16-8-6-7-9-18(16)25(3)21(20)17-11-10-15(28-13-12-24)14-19(17)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
Affinity DataKi:  0.350nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491022(CHEMBL2377360)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCCF
Show InChI InChI=1S/C23H25FN2OS/c1-3-25(4-2)23(27)22-20-16-10-5-7-12-18(16)26(15-9-14-24)21(20)17-11-6-8-13-19(17)28-22/h5-8,10-13,22H,3-4,9,14-15H2,1-2H3
Affinity DataKi:  0.360nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM253019(US9481685, 1)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(OC)ccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-17-14-15(28-3)10-11-18(17)26(13-12-24)21(20)16-8-6-7-9-19(16)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
Affinity DataKi:  0.370nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50490997(CHEMBL2377337)
Show SMILES CCN(CC)C(=O)C1Sc2ccc(F)cc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H22F2N2OS/c1-3-25(4-2)22(27)21-19-15-7-5-6-8-17(15)26(12-11-23)20(19)16-13-14(24)9-10-18(16)28-21/h5-10,13,21H,3-4,11-12H2,1-2H3
Affinity DataKi:  0.390nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491016(CHEMBL2377332)
Show SMILES CCN(CC)C(=O)C1Sc2cc(NC(C)=O)ccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C24H26FN3O2S/c1-4-27(5-2)24(30)23-21-17-8-6-7-9-19(17)28(13-12-25)22(21)18-11-10-16(26-15(3)29)14-20(18)31-23/h6-11,14,23H,4-5,12-13H2,1-3H3,(H,26,29)
Affinity DataKi:  0.390nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM253024(US9481685, 2)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccc(OC)cc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-16-11-10-15(28-3)14-18(16)26(13-12-24)21(20)17-8-6-7-9-19(17)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491006(CHEMBL2377346)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(Br)ccc1n2CCF
Show InChI InChI=1S/C22H22BrFN2OS/c1-3-25(4-2)22(27)21-19-16-13-14(23)9-10-17(16)26(12-11-24)20(19)15-7-5-6-8-18(15)28-21/h5-10,13,21H,3-4,11-12H2,1-2H3
Affinity DataKi:  0.470nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491014(CHEMBL2377347)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(F)ccc1n2CCF
Show InChI InChI=1S/C22H22F2N2OS/c1-3-25(4-2)22(27)21-19-16-13-14(24)9-10-17(16)26(12-11-23)20(19)15-7-5-6-8-18(15)28-21/h5-10,13,21H,3-4,11-12H2,1-2H3
Affinity DataKi:  0.490nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore 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-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:  0.510nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM253023(US9481685, 6)
Show SMILES CCOc1ccc2n(CCF)c-3c(C(Sc4ccccc-34)C(=O)N(CC)CC)c2c1
Show InChI InChI=1S/C24H27FN2O2S/c1-4-26(5-2)24(28)23-21-18-15-16(29-6-3)11-12-19(18)27(14-13-25)22(21)17-9-7-8-10-20(17)30-23/h7-12,15,23H,4-6,13-14H2,1-3H3
Affinity DataKi:  0.520nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491015(CHEMBL2377359)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCCCF
Show InChI InChI=1S/C24H27FN2OS/c1-3-26(4-2)24(28)23-21-17-11-5-7-13-19(17)27(16-10-9-15-25)22(21)18-12-6-8-14-20(18)29-23/h5-8,11-14,23H,3-4,9-10,15-16H2,1-2H3
Affinity DataKi:  0.520nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491012(CHEMBL2377333)
Show SMILES CCN(CC)C(=O)C1Sc2ccc(O)cc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2O2S/c1-3-24(4-2)22(27)21-19-15-7-5-6-8-17(15)25(12-11-23)20(19)16-13-14(26)9-10-18(16)28-21/h5-10,13,21,26H,3-4,11-12H2,1-2H3
Affinity DataKi:  0.550nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50363527(CHEMBL1945412 | US9481685, [18F]FE-PBR)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C22H23FN2OS/c1-3-24(4-2)22(26)21-19-15-9-5-7-11-17(15)25(14-13-23)20(19)16-10-6-8-12-18(16)27-21/h5-12,21H,3-4,13-14H2,1-2H3
Affinity DataKi:  0.680nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer Inc.

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:  0.740nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491003(CHEMBL2377355)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2[nH]c3ccccc3c12
Show InChI InChI=1S/C20H20N2OS/c1-3-22(4-2)20(23)19-17-13-9-5-7-11-15(13)21-18(17)14-10-6-8-12-16(14)24-19/h5-12,19,21H,3-4H2,1-2H3
Affinity DataKi:  0.760nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1ab(HCoV-NL63)
Pfizer Inc.

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:  0.770nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(HCoV-NL63)
Pfizer Inc.

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.

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
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50490994(CHEMBL2377327)
Show SMILES CCN(CC)C(=O)C1c2ccccc2-c2[nH]c3ccccc3c12
Show InChI InChI=1S/C20H20N2O/c1-3-22(4-2)20(23)18-13-9-5-6-10-14(13)19-17(18)15-11-7-8-12-16(15)21-19/h5-12,18,21H,3-4H2,1-2H3
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1ab(HCoV-HKU1)
Pfizer Inc.

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:  0.850nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(HCoV-HKU1)
Pfizer Inc.

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
Ligand InfoPurchasePDB
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM253020(US9481685, 3)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cccc(OC)c1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-19-16-10-8-11-17(28-3)20(16)26(14-13-24)21(19)15-9-6-7-12-18(15)29-22/h6-12,22H,4-5,13-14H2,1-3H3
Affinity DataKi:  0.930nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491020(CHEMBL2377328)
Show SMILES CCN(CC)C(=O)C1Cc2ccccc2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O/c1-3-25(4-2)23(27)19-15-16-9-5-6-10-17(16)22-21(19)18-11-7-8-12-20(18)26(22)14-13-24/h5-12,19H,3-4,13-15H2,1-2H3
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM253018(US9481685, 7)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1c(OC)cccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-19-16(10-8-11-17(19)28-3)26(14-13-24)21(20)15-9-6-7-12-18(15)29-22/h6-12,22H,4-5,13-14H2,1-3H3
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM50491008(CHEMBL2377342)
Show SMILES CCN(CC)C(=O)C1Sc2cccc(OC)c2-c2c1c1ccccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-19-15-9-6-7-10-16(15)26(14-13-24)21(19)20-17(28-3)11-8-12-18(20)29-22/h6-12,22H,4-5,13-14H2,1-3H3
Affinity DataKi:  1.10nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTranslocator protein(Rattus norvegicus (rat))
GE Healthcare

Curated by ChEMBL
LigandPNGBDBM253019(US9481685, 1)
Show SMILES CCN(CC)C(=O)C1Sc2ccccc2-c2c1c1cc(OC)ccc1n2CCF
Show InChI InChI=1S/C23H25FN2O2S/c1-4-25(5-2)23(27)22-20-17-14-15(28-3)10-11-18(17)26(13-12-24)21(20)16-8-6-7-9-19(16)29-22/h6-11,14,22H,4-5,12-13H2,1-3H3
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenatesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetReplicase polyprotein 1ab(MHV-A59)
Pfizer Inc.

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:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchasePDB
TargetReplicase polyprotein 1ab(MHV-A59)
Pfizer Inc.

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
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