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PubMed code 11931615

Compile data set for download or QSAR
Found 46 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
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 85n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 10)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 132n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 1A)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50110351
PNG
((E)-(S)-4-[(S)-2-(3-Benzyloxycarbonylamino-2-oxo-2...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)OCc2ccccc2)c1=O
Show InChI InChI=1S/C31H34N4O7/c1-2-41-28(37)18-16-24(15-17-27(32)36)33-29(38)26(20-22-10-5-3-6-11-22)35-19-9-14-25(30(35)39)34-31(40)42-21-23-12-7-4-8-13-23/h3-14,16,18-19,24,26H,2,15,17,20-21H2,1H3,(H2,32,36)(H,33,38)(H,34,40)/b18-16+/t24-,26-/m0/s1
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n/an/an/an/a 33n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against Human Rhinovirus Protease 3C (serotype 14)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50110353
PNG
((E)-(S)-4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-py...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C24H28N4O7/c1-2-34-22(31)13-11-18(10-12-20(25)29)26-21(30)15-28-14-6-9-19(23(28)32)27-24(33)35-16-17-7-4-3-5-8-17/h3-9,11,13-14,18H,2,10,12,15-16H2,1H3,(H2,25,29)(H,26,30)(H,27,33)/b13-11+/t18-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111459
PNG
(6-Carbamoyl-4-(2-{2-oxo-3-[(tetrahydro-furan-2-car...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C2CCCO2)c1=O
Show InChI InChI=1S/C28H34N4O7/c1-2-38-25(34)15-13-20(12-14-24(29)33)30-26(35)22(18-19-8-4-3-5-9-19)32-16-6-10-21(28(32)37)31-27(36)23-11-7-17-39-23/h3-6,8-10,13,15-16,20,22-23H,2,7,11-12,14,17-18H2,1H3,(H2,29,33)(H,30,35)(H,31,36)/b15-13+/t20-,22-,23?/m0/s1
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n/an/an/an/a 1.78E+3n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50065606
PNG
((E)-(S)-4-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-m...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C32H42N4O7/c1-4-42-29(38)18-16-25(15-17-28(33)37)34-30(39)27(20-23-11-7-5-8-12-23)35-31(40)26(19-22(2)3)36-32(41)43-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-27H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)(H,36,41)/b18-16+/t25-,26-,27-/m0/s1
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n/an/an/an/a 540n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against Human Rhinovirus Protease 3C (serotype 14)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111465
PNG
(6-Carbamoyl-4-(2-{3-[(5-chloro-isoxazole-3-carbony...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)c2cc(Cl)on2)c1=O |r|
Show InChI InChI=1S/C27H28ClN5O7/c1-2-39-24(35)13-11-18(10-12-23(29)34)30-26(37)21(15-17-7-4-3-5-8-17)33-14-6-9-19(27(33)38)31-25(36)20-16-22(28)40-32-20/h3-9,11,13-14,16,18,21H,2,10,12,15H2,1H3,(H2,29,34)(H,30,37)(H,31,36)/b13-11+/t18-,21-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111464
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H31F2N5O7/c1-3-43-26(38)9-7-20(16-19-10-11-33-27(19)39)34-29(41)25(15-18-6-8-21(31)22(32)14-18)37-12-4-5-23(30(37)42)35-28(40)24-13-17(2)44-36-24/h4-9,12-14,19-20,25H,3,10-11,15-16H2,1-2H3,(H,33,39)(H,34,41)(H,35,40)/b9-7+/t19-,20+,25-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111462
PNG
(6-Carbamoyl-4-{2-[3-(cyclopentanecarbonyl-amino)-2...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C2CCCC2)c1=O
Show InChI InChI=1S/C29H36N4O6/c1-2-39-26(35)17-15-22(14-16-25(30)34)31-28(37)24(19-20-9-4-3-5-10-20)33-18-8-13-23(29(33)38)32-27(36)21-11-6-7-12-21/h3-5,8-10,13,15,17-18,21-22,24H,2,6-7,11-12,14,16,19H2,1H3,(H2,30,34)(H,31,37)(H,32,36)/b17-15+/t22-,24-/m0/s1
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n/an/an/an/a 34n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111456
PNG
(4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-pyridin-1-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H33FN4O7/c1-2-42-28(38)17-15-24(14-16-27(33)37)34-29(39)26(19-21-10-12-23(32)13-11-21)36-18-6-9-25(30(36)40)35-31(41)43-20-22-7-4-3-5-8-22/h3-13,15,17-18,24,26H,2,14,16,19-20H2,1H3,(H2,33,37)(H,34,39)(H,35,41)/b17-15+/t24-,26-/m0/s1
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n/an/an/an/a 607n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 1A)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype Hanks)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111469
PNG
(3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propox...)
Show SMILES Cc1cc(CCCOc2c(C)cc(cc2C)-c2noc(n2)C(F)(F)F)on1
Show InChI InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3
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n/an/an/an/a 58n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50110351
PNG
((E)-(S)-4-[(S)-2-(3-Benzyloxycarbonylamino-2-oxo-2...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)OCc2ccccc2)c1=O
Show InChI InChI=1S/C31H34N4O7/c1-2-41-28(37)18-16-24(15-17-27(32)36)33-29(38)26(20-22-10-5-3-6-11-22)35-19-9-14-25(30(35)39)34-31(40)42-21-23-12-7-4-8-13-23/h3-14,16,18-19,24,26H,2,15,17,20-21H2,1H3,(H2,32,36)(H,33,38)(H,34,40)/b18-16+/t24-,26-/m0/s1
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n/an/an/an/a 1.25E+3n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against Human Rhinovirus Protease 3C (serotype 1A)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 13)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 23)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 109n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 9)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 36n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 16)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111461
PNG
(4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-pyridin-1-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H32F2N4O7/c1-2-43-28(39)15-12-22(11-14-27(34)38)35-29(40)26(18-21-10-13-23(32)24(33)17-21)37-16-6-9-25(30(37)41)36-31(42)44-19-20-7-4-3-5-8-20/h3-10,12-13,15-17,22,26H,2,11,14,18-19H2,1H3,(H2,34,38)(H,35,40)(H,36,42)/b15-12+/t22-,26-/m0/s1
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Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 78)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50087765
PNG
((METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLA...)
Show SMILES CCOC(=O)c1ccc(OCCC2CCN(CC2)c2ccc(C)nn2)cc1
Show InChI InChI=1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3
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n/an/an/an/a 440n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111456
PNG
(4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-pyridin-1-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H33FN4O7/c1-2-42-28(38)17-15-24(14-16-27(33)37)34-29(39)26(19-21-10-12-23(32)13-11-21)36-18-6-9-25(30(36)40)35-31(41)43-20-22-7-4-3-5-8-22/h3-13,15,17-18,24,26H,2,14,16,19-20H2,1H3,(H2,33,37)(H,34,39)(H,35,41)/b17-15+/t24-,26-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111456
PNG
(4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-pyridin-1-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H33FN4O7/c1-2-42-28(38)17-15-24(14-16-27(33)37)34-29(39)26(19-21-10-12-23(32)13-11-21)36-18-6-9-25(30(36)40)35-31(41)43-20-22-7-4-3-5-8-22/h3-13,15,17-18,24,26H,2,14,16,19-20H2,1H3,(H2,33,37)(H,34,39)(H,35,41)/b17-15+/t24-,26-/m0/s1
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n/an/an/an/a 111n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 10)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111460
PNG
(4-[2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-3-pheny...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(C)=O)c1=O |r|
Show InChI InChI=1S/C25H30N4O6/c1-3-35-23(32)14-12-19(11-13-22(26)31)28-24(33)21(16-18-8-5-4-6-9-18)29-15-7-10-20(25(29)34)27-17(2)30/h4-10,12,14-15,19,21H,3,11,13,16H2,1-2H3,(H2,26,31)(H,27,30)(H,28,33)/b14-12+/t19-,21-/m0/s1
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n/an/an/an/a 888n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111464
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H31F2N5O7/c1-3-43-26(38)9-7-20(16-19-10-11-33-27(19)39)34-29(41)25(15-18-6-8-21(31)22(32)14-18)37-12-4-5-23(30(37)42)35-28(40)24-13-17(2)44-36-24/h4-9,12-14,19-20,25H,3,10-11,15-16H2,1-2H3,(H,33,39)(H,34,41)(H,35,40)/b9-7+/t19-,20+,25-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 10)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 48n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 2)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 11)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111461
PNG
(4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-pyridin-1-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H32F2N4O7/c1-2-43-28(39)15-12-22(11-14-27(34)38)35-29(40)26(18-21-10-13-23(32)24(33)17-21)37-16-6-9-25(30(37)41)36-31(42)44-19-20-7-4-3-5-8-20/h3-10,12-13,15-17,22,26H,2,11,14,18-19H2,1H3,(H2,34,38)(H,35,40)(H,36,42)/b15-12+/t22-,26-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 10)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111467
PNG
(4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-pyridin-1-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C33H36N4O7/c1-2-43-29(38)16-15-26(21-25-17-18-34-30(25)39)35-31(40)28(20-23-10-5-3-6-11-23)37-19-9-14-27(32(37)41)36-33(42)44-22-24-12-7-4-8-13-24/h3-16,19,25-26,28H,2,17-18,20-22H2,1H3,(H,34,39)(H,35,40)(H,36,42)/b16-15+/t25-,26-,28+/m1/s1
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n/an/an/an/a 469n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 33n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 3)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111463
PNG
(6-Carbamoyl-4-{2-[3-(2,2-dimethyl-propionylamino)-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C(C)(C)C)c1=O |r|
Show InChI InChI=1S/C28H36N4O6/c1-5-38-24(34)16-14-20(13-15-23(29)33)30-25(35)22(18-19-10-7-6-8-11-19)32-17-9-12-21(26(32)36)31-27(37)28(2,3)4/h6-12,14,16-17,20,22H,5,13,15,18H2,1-4H3,(H2,29,33)(H,30,35)(H,31,37)/b16-14+/t20-,22-/m0/s1
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n/an/an/an/a 518n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111458
PNG
(4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-pyridin-1-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](CC1CCCCC1)n1cccc(NC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H40N4O7/c1-2-41-28(37)18-16-24(15-17-27(32)36)33-29(38)26(20-22-10-5-3-6-11-22)35-19-9-14-25(30(35)39)34-31(40)42-21-23-12-7-4-8-13-23/h4,7-9,12-14,16,18-19,22,24,26H,2-3,5-6,10-11,15,17,20-21H2,1H3,(H2,32,36)(H,33,38)(H,34,40)/b18-16+/t24-,26-/m0/s1
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n/an/an/an/a 178n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111466
PNG
(4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-pyridin-1-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C33H36N4O7/c1-2-43-29(38)16-15-26(21-25-17-18-34-30(25)39)35-31(40)28(20-23-10-5-3-6-11-23)37-19-9-14-27(32(37)41)36-33(42)44-22-24-12-7-4-8-13-24/h3-16,19,25-26,28H,2,17-18,20-22H2,1H3,(H,34,39)(H,35,40)(H,36,42)/b16-15+/t25-,26+,28-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 14)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111454
PNG
(4-(3-(4-Fluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H32FN5O7/c1-3-42-26(37)11-10-22(17-20-12-13-32-27(20)38)33-29(40)25(16-19-6-8-21(31)9-7-19)36-14-4-5-23(30(36)41)34-28(39)24-15-18(2)43-35-24/h4-11,14-15,20,22,25H,3,12-13,16-17H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/b11-10+/t20-,22+,25-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111454
PNG
(4-(3-(4-Fluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H32FN5O7/c1-3-42-26(37)11-10-22(17-20-12-13-32-27(20)38)33-29(40)25(16-19-6-8-21(31)9-7-19)36-14-4-5-23(30(36)41)34-28(39)24-15-18(2)43-35-24/h4-11,14-15,20,22,25H,3,12-13,16-17H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/b11-10+/t20-,22+,25-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 1A)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111457
PNG
(6-Carbamoyl-4-(2-{3-[([1,3]dithiolane-2-carbonyl)-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C2SCCS2)c1=O |r|
Show InChI InChI=1S/C27H32N4O6S2/c1-2-37-23(33)13-11-19(10-12-22(28)32)29-24(34)21(17-18-7-4-3-5-8-18)31-14-6-9-20(26(31)36)30-25(35)27-38-15-16-39-27/h3-9,11,13-14,19,21,27H,2,10,12,15-17H2,1H3,(H2,28,32)(H,29,34)(H,30,35)/b13-11+/t19-,21-/m0/s1
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n/an/an/an/a 1.18E+3n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 1A)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111454
PNG
(4-(3-(4-Fluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H32FN5O7/c1-3-42-26(37)11-10-22(17-20-12-13-32-27(20)38)33-29(40)25(16-19-6-8-21(31)9-7-19)36-14-4-5-23(30(36)41)34-28(39)24-15-18(2)43-35-24/h4-11,14-15,20,22,25H,3,12-13,16-17H2,1-2H3,(H,32,38)(H,33,40)(H,34,39)/b11-10+/t20-,22+,25-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 10)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111464
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C30H31F2N5O7/c1-3-43-26(38)9-7-20(16-19-10-11-33-27(19)39)34-29(41)25(15-18-6-8-21(31)22(32)14-18)37-12-4-5-23(30(37)42)35-28(40)24-13-17(2)44-36-24/h4-9,12-14,19-20,25H,3,10-11,15-16H2,1-2H3,(H,33,39)(H,34,41)(H,35,40)/b9-7+/t19-,20+,25-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 1A)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111461
PNG
(4-[2-(3-Benzyloxycarbonylamino-2-oxo-2H-pyridin-1-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)OCc2ccccc2)c1=O |r|
Show InChI InChI=1S/C31H32F2N4O7/c1-2-43-28(39)15-12-22(11-14-27(34)38)35-29(40)26(18-21-10-13-23(32)24(33)17-21)37-16-6-9-25(30(37)41)36-31(42)44-19-20-7-4-3-5-8-20/h3-10,12-13,15-17,22,26H,2,11,14,18-19H2,1H3,(H2,34,38)(H,35,40)(H,36,42)/b15-12+/t22-,26-/m0/s1
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n/an/an/an/a 513n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 1A)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 19)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111468
PNG
(6-Carbamoyl-4-(2-{3-[(5-methyl-isoxazole-3-carbony...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)c2cc(C)on2)c1=O |r|
Show InChI InChI=1S/C28H31N5O7/c1-3-39-25(35)14-12-20(11-13-24(29)34)30-27(37)23(17-19-8-5-4-6-9-19)33-15-7-10-21(28(33)38)31-26(36)22-16-18(2)40-32-22/h4-10,12,14-16,20,23H,3,11,13,17H2,1-2H3,(H2,29,34)(H,30,37)(H,31,36)/b14-12+/t20-,23-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 14)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111457
PNG
(6-Carbamoyl-4-(2-{3-[([1,3]dithiolane-2-carbonyl)-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C2SCCS2)c1=O |r|
Show InChI InChI=1S/C27H32N4O6S2/c1-2-37-23(33)13-11-19(10-12-22(28)32)29-24(34)21(17-18-7-4-3-5-8-18)31-14-6-9-20(26(31)36)30-25(35)27-38-15-16-39-27/h3-9,11,13-14,19,21,27H,2,10,12,15-17H2,1H3,(H2,28,32)(H,29,34)(H,30,35)/b13-11+/t19-,21-/m0/s1
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n/an/an/an/a 104n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of HRV Protease 3CP (serotype 14).

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 25)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111457
PNG
(6-Carbamoyl-4-(2-{3-[([1,3]dithiolane-2-carbonyl)-...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)C2SCCS2)c1=O |r|
Show InChI InChI=1S/C27H32N4O6S2/c1-2-37-23(33)13-11-19(10-12-22(28)32)29-24(34)21(17-18-7-4-3-5-8-18)31-14-6-9-20(26(31)36)30-25(35)27-38-15-16-39-27/h3-9,11,13-14,19,21,27H,2,10,12,15-17H2,1H3,(H2,28,32)(H,29,34)(H,30,35)/b13-11+/t19-,21-/m0/s1
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n/an/an/an/a 1.41E+3n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 10)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50111455
PNG
((1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-me...)
Show SMILES CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O
Show InChI InChI=1S/C31H33F2N5O7/c1-17(2)44-27(39)9-7-21(16-20-10-11-34-28(20)40)35-30(42)26(15-19-6-8-22(32)23(33)14-19)38-12-4-5-24(31(38)43)36-29(41)25-13-18(3)45-37-25/h4-9,12-14,17,20-21,26H,10-11,15-16H2,1-3H3,(H,34,40)(H,35,42)(H,36,41)/b9-7+/t20-,21+,26-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against HRV Protease 3CP (serotype 39)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50110351
PNG
((E)-(S)-4-[(S)-2-(3-Benzyloxycarbonylamino-2-oxo-2...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)n1cccc(NC(=O)OCc2ccccc2)c1=O
Show InChI InChI=1S/C31H34N4O7/c1-2-41-28(37)18-16-24(15-17-27(32)36)33-29(38)26(20-22-10-5-3-6-11-22)35-19-9-14-25(30(35)39)34-31(40)42-21-23-12-7-4-8-13-23/h3-14,16,18-19,24,26H,2,15,17,20-21H2,1H3,(H2,32,36)(H,33,38)(H,34,40)/b18-16+/t24-,26-/m0/s1
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n/an/an/an/a 372n/an/an/an/a



Pfizer Global Research and Development-La Jolla/Agouron Pharmaceuticals

Curated by ChEMBL


Assay Description
antirhinoviral activity against Human Rhinovirus Protease 3C (serotype 10)

J Med Chem 45: 1607-23 (2002)


BindingDB Entry DOI: 10.7270/Q27M078G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%