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PubMed code 10091700

Compile data set for download or QSAR
Found 36 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075178
PNG
((E)-4-(2-Nitro-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccccc1[N+]([O-])=O)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15N3O6S/c1-10-9-29-18-16(10)19(25)28-17(21-18)11(2)20-15(24)8-7-14(23)12-5-3-4-6-13(12)22(26)27/h3-9,11H,1-2H3,(H,20,24)/b8-7+/t11-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075171
PNG
((E)-4-Oxo-4-thiophen-2-yl-but-2-enoic acid [(S)-1-...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccs1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C17H14N2O4S2/c1-9-8-25-16-14(9)17(22)23-15(19-16)10(2)18-13(21)6-5-11(20)12-4-3-7-24-12/h3-8,10H,1-2H3,(H,18,21)/b6-5+/t10-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075173
PNG
((E)-4-(3-Methoxy-phenyl)-4-oxo-but-2-enoic acid [(...)
Show SMILES COc1cccc(c1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C20H18N2O5S/c1-11-10-28-19-17(11)20(25)27-18(22-19)12(2)21-16(24)8-7-15(23)13-5-4-6-14(9-13)26-3/h4-10,12H,1-3H3,(H,21,24)/b8-7+/t12-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075176
PNG
((E)-4-Oxo-4-phenyl-but-2-enoic acid [(S)-1-(5-meth...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H16N2O4S/c1-11-10-26-18-16(11)19(24)25-17(21-18)12(2)20-15(23)9-8-14(22)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,20,23)/b9-8+/t12-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075175
PNG
((E)-4-(3-Nitro-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccc(c1)[N+]([O-])=O)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15N3O6S/c1-10-9-29-18-16(10)19(25)28-17(21-18)11(2)20-15(24)7-6-14(23)12-4-3-5-13(8-12)22(26)27/h3-9,11H,1-2H3,(H,20,24)/b7-6+/t11-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075177
PNG
((E)-4-(3-Cyano-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccc(c1)C#N)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C20H15N3O4S/c1-11-10-28-19-17(11)20(26)27-18(23-19)12(2)22-16(25)7-6-15(24)14-5-3-4-13(8-14)9-21/h3-8,10,12H,1-2H3,(H,22,25)/b7-6+/t12-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075180
PNG
((E)-4-(4-Chloro-phenyl)-4-oxo-but-2-enoic acid [(S...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccc(Cl)cc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15ClN2O4S/c1-10-9-27-18-16(10)19(25)26-17(22-18)11(2)21-15(24)8-7-14(23)12-3-5-13(20)6-4-12/h3-9,11H,1-2H3,(H,21,24)/b8-7+/t11-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075170
PNG
((E)-4-(4-Ethoxy-phenyl)-4-oxo-but-2-enoic acid [(S...)
Show SMILES CCOc1ccc(cc1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C21H20N2O5S/c1-4-27-15-7-5-14(6-8-15)16(24)9-10-17(25)22-13(3)19-23-20-18(21(26)28-19)12(2)11-29-20/h5-11,13H,4H2,1-3H3,(H,22,25)/b10-9+/t13-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075173
PNG
((E)-4-(3-Methoxy-phenyl)-4-oxo-but-2-enoic acid [(...)
Show SMILES COc1cccc(c1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C20H18N2O5S/c1-11-10-28-19-17(11)20(25)27-18(22-19)12(2)21-16(24)8-7-15(23)13-5-4-6-14(9-13)26-3/h4-10,12H,1-3H3,(H,21,24)/b8-7+/t12-/m0/s1
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n/an/a 340n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075179
PNG
((E)-4-Oxo-pent-2-enoic acid [(S)-1-(5-methyl-4-oxo...)
Show SMILES C[C@H](NC(=O)C=CC(C)=O)c1nc2scc(C)c2c(=O)o1 |w:6.6|
Show InChI InChI=1S/C14H14N2O4S/c1-7-6-21-13-11(7)14(19)20-12(16-13)9(3)15-10(18)5-4-8(2)17/h4-6,9H,1-3H3,(H,15,18)/t9-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075177
PNG
((E)-4-(3-Cyano-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccc(c1)C#N)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C20H15N3O4S/c1-11-10-28-19-17(11)20(26)27-18(23-19)12(2)22-16(25)7-6-15(24)14-5-3-4-13(8-14)9-21/h3-8,10,12H,1-2H3,(H,22,25)/b7-6+/t12-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075175
PNG
((E)-4-(3-Nitro-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccc(c1)[N+]([O-])=O)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15N3O6S/c1-10-9-29-18-16(10)19(25)28-17(21-18)11(2)20-15(24)7-6-14(23)12-4-3-5-13(8-12)22(26)27/h3-9,11H,1-2H3,(H,20,24)/b7-6+/t11-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075171
PNG
((E)-4-Oxo-4-thiophen-2-yl-but-2-enoic acid [(S)-1-...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccs1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C17H14N2O4S2/c1-9-8-25-16-14(9)17(22)23-15(19-16)10(2)18-13(21)6-5-11(20)12-4-3-7-24-12/h3-8,10H,1-2H3,(H,18,21)/b6-5+/t10-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075173
PNG
((E)-4-(3-Methoxy-phenyl)-4-oxo-but-2-enoic acid [(...)
Show SMILES COc1cccc(c1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C20H18N2O5S/c1-11-10-28-19-17(11)20(25)27-18(22-19)12(2)21-16(24)8-7-15(23)13-5-4-6-14(9-13)26-3/h4-10,12H,1-3H3,(H,21,24)/b8-7+/t12-/m0/s1
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n/an/a 680n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075179
PNG
((E)-4-Oxo-pent-2-enoic acid [(S)-1-(5-methyl-4-oxo...)
Show SMILES C[C@H](NC(=O)C=CC(C)=O)c1nc2scc(C)c2c(=O)o1 |w:6.6|
Show InChI InChI=1S/C14H14N2O4S/c1-7-6-21-13-11(7)14(19)20-12(16-13)9(3)15-10(18)5-4-8(2)17/h4-6,9H,1-3H3,(H,15,18)/t9-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075172
PNG
(CHEMBL138045 | N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[...)
Show SMILES C[C@H](NC(=O)CCC(=O)c1cccs1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C17H16N2O4S2/c1-9-8-25-16-14(9)17(22)23-15(19-16)10(2)18-13(21)6-5-11(20)12-4-3-7-24-12/h3-4,7-8,10H,5-6H2,1-2H3,(H,18,21)/t10-/m0/s1
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n/an/a 820n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075178
PNG
((E)-4-(2-Nitro-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccccc1[N+]([O-])=O)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15N3O6S/c1-10-9-29-18-16(10)19(25)28-17(21-18)11(2)20-15(24)8-7-14(23)12-5-3-4-6-13(12)22(26)27/h3-9,11H,1-2H3,(H,20,24)/b8-7+/t11-/m0/s1
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n/an/a 840n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075176
PNG
((E)-4-Oxo-4-phenyl-but-2-enoic acid [(S)-1-(5-meth...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H16N2O4S/c1-11-10-26-18-16(11)19(24)25-17(21-18)12(2)20-15(23)9-8-14(22)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,20,23)/b9-8+/t12-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075181
PNG
((E)-But-2-enedioic acid [(S)-1-(5-methyl-4-oxo-4H-...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)Nc1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H17N3O4S/c1-11-10-27-18-16(11)19(25)26-17(22-18)12(2)20-14(23)8-9-15(24)21-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,20,23)(H,21,24)/b9-8+/t12-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075179
PNG
((E)-4-Oxo-pent-2-enoic acid [(S)-1-(5-methyl-4-oxo...)
Show SMILES C[C@H](NC(=O)C=CC(C)=O)c1nc2scc(C)c2c(=O)o1 |w:6.6|
Show InChI InChI=1S/C14H14N2O4S/c1-7-6-21-13-11(7)14(19)20-12(16-13)9(3)15-10(18)5-4-8(2)17/h4-6,9H,1-3H3,(H,15,18)/t9-/m0/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075170
PNG
((E)-4-(4-Ethoxy-phenyl)-4-oxo-but-2-enoic acid [(S...)
Show SMILES CCOc1ccc(cc1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C21H20N2O5S/c1-4-27-15-7-5-14(6-8-15)16(24)9-10-17(25)22-13(3)19-23-20-18(21(26)28-19)12(2)11-29-20/h5-11,13H,4H2,1-3H3,(H,22,25)/b10-9+/t13-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075177
PNG
((E)-4-(3-Cyano-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccc(c1)C#N)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C20H15N3O4S/c1-11-10-28-19-17(11)20(26)27-18(23-19)12(2)22-16(25)7-6-15(24)14-5-3-4-13(8-14)9-21/h3-8,10,12H,1-2H3,(H,22,25)/b7-6+/t12-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075178
PNG
((E)-4-(2-Nitro-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccccc1[N+]([O-])=O)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15N3O6S/c1-10-9-29-18-16(10)19(25)28-17(21-18)11(2)20-15(24)8-7-14(23)12-5-3-4-6-13(12)22(26)27/h3-9,11H,1-2H3,(H,20,24)/b8-7+/t11-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075181
PNG
((E)-But-2-enedioic acid [(S)-1-(5-methyl-4-oxo-4H-...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)Nc1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H17N3O4S/c1-11-10-27-18-16(11)19(25)26-17(22-18)12(2)20-14(23)8-9-15(24)21-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,20,23)(H,21,24)/b9-8+/t12-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075181
PNG
((E)-But-2-enedioic acid [(S)-1-(5-methyl-4-oxo-4H-...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)Nc1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H17N3O4S/c1-11-10-27-18-16(11)19(25)26-17(22-18)12(2)20-14(23)8-9-15(24)21-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,20,23)(H,21,24)/b9-8+/t12-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075176
PNG
((E)-4-Oxo-4-phenyl-but-2-enoic acid [(S)-1-(5-meth...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H16N2O4S/c1-11-10-26-18-16(11)19(24)25-17(21-18)12(2)20-15(23)9-8-14(22)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,20,23)/b9-8+/t12-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075175
PNG
((E)-4-(3-Nitro-phenyl)-4-oxo-but-2-enoic acid [(S)...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccc(c1)[N+]([O-])=O)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15N3O6S/c1-10-9-29-18-16(10)19(25)28-17(21-18)11(2)20-15(24)7-6-14(23)12-4-3-5-13(8-12)22(26)27/h3-9,11H,1-2H3,(H,20,24)/b7-6+/t11-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075180
PNG
((E)-4-(4-Chloro-phenyl)-4-oxo-but-2-enoic acid [(S...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccc(Cl)cc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15ClN2O4S/c1-10-9-27-18-16(10)19(25)26-17(22-18)11(2)21-15(24)8-7-14(23)12-3-5-13(20)6-4-12/h3-9,11H,1-2H3,(H,21,24)/b8-7+/t11-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075171
PNG
((E)-4-Oxo-4-thiophen-2-yl-but-2-enoic acid [(S)-1-...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1cccs1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C17H14N2O4S2/c1-9-8-25-16-14(9)17(22)23-15(19-16)10(2)18-13(21)6-5-11(20)12-4-3-7-24-12/h3-8,10H,1-2H3,(H,18,21)/b6-5+/t10-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075172
PNG
(CHEMBL138045 | N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[...)
Show SMILES C[C@H](NC(=O)CCC(=O)c1cccs1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C17H16N2O4S2/c1-9-8-25-16-14(9)17(22)23-15(19-16)10(2)18-13(21)6-5-11(20)12-4-3-7-24-12/h3-4,7-8,10H,5-6H2,1-2H3,(H,18,21)/t10-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075174
PNG
(CHEMBL344631 | N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[...)
Show SMILES C[C@H](NC(=O)CCC(=O)c1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H18N2O4S/c1-11-10-26-18-16(11)19(24)25-17(21-18)12(2)20-15(23)9-8-14(22)13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,20,23)/t12-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075180
PNG
((E)-4-(4-Chloro-phenyl)-4-oxo-but-2-enoic acid [(S...)
Show SMILES C[C@H](NC(=O)\C=C\C(=O)c1ccc(Cl)cc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H15ClN2O4S/c1-10-9-27-18-16(10)19(25)26-17(22-18)11(2)21-15(24)8-7-14(23)12-3-5-13(20)6-4-12/h3-9,11H,1-2H3,(H,21,24)/b8-7+/t11-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human herpesvirus 2 (strain HG52) (HHV-2) (Human h...)
BDBM50075170
PNG
((E)-4-(4-Ethoxy-phenyl)-4-oxo-but-2-enoic acid [(S...)
Show SMILES CCOc1ccc(cc1)C(=O)\C=C\C(=O)N[C@@H](C)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C21H20N2O5S/c1-4-27-15-7-5-14(6-8-15)16(24)9-10-17(25)22-13(3)19-23-20-18(21(26)28-19)12(2)11-29-20/h5-11,13H,4H2,1-3H3,(H,22,25)/b10-9+/t13-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus protease (HSV-2)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075172
PNG
(CHEMBL138045 | N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[...)
Show SMILES C[C@H](NC(=O)CCC(=O)c1cccs1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C17H16N2O4S2/c1-9-8-25-16-14(9)17(22)23-15(19-16)10(2)18-13(21)6-5-11(20)12-4-3-7-24-12/h3-4,7-8,10H,5-6H2,1-2H3,(H,18,21)/t10-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Capsid scaffolding protein


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50075174
PNG
(CHEMBL344631 | N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[...)
Show SMILES C[C@H](NC(=O)CCC(=O)c1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H18N2O4S/c1-11-10-26-18-16(11)19(24)25-17(21-18)12(2)20-15(23)9-8-14(22)13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,20,23)/t12-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cytomegalovirus protease (CMV)


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50075174
PNG
(CHEMBL344631 | N-[(S)-1-(5-Methyl-4-oxo-4H-thieno[...)
Show SMILES C[C@H](NC(=O)CCC(=O)c1ccccc1)c1nc2scc(C)c2c(=O)o1
Show InChI InChI=1S/C19H18N2O4S/c1-11-10-26-18-16(11)19(24)25-17(21-18)12(2)20-15(23)9-8-14(22)13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,20,23)/t12-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against varicella zoster virus (VZV) protease


Bioorg Med Chem Lett 9: 449-52 (1999)


BindingDB Entry DOI: 10.7270/Q2TM799P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%