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Compile Data Set for Download or QSAR

Found 34 hits from Agouron Pharmaceuticals Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087766
PNG
(1-Oxo-1H-indene-5-carboxylic acid amide | CHEMBL47...)
Show SMILES NC(=O)c1ccc2C(=O)C=Cc2c1
Show InChI InChI=1S/C10H7NO2/c11-10(13)7-1-3-8-6(5-7)2-4-9(8)12/h1-5H,(H2,11,13)
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120n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087780
PNG
(3-(3-Oxo-3-phenyl-propenyl)-benzamide | CHEMBL2949...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H13NO2/c17-16(19)14-8-4-5-12(11-14)9-10-15(18)13-6-2-1-3-7-13/h1-11H,(H2,17,19)/b10-9+
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400n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087767
PNG
(3-(3-Carbamoyl-phenyl)-2-cyano-acrylic acid ethyl ...)
Show SMILES CCOC(=O)C(=C\c1cccc(c1)C(N)=O)\C#N
Show InChI InChI=1S/C13H12N2O3/c1-2-18-13(17)11(8-14)7-9-4-3-5-10(6-9)12(15)16/h3-7H,2H2,1H3,(H2,15,16)/b11-7+
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1.50E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for irreversible inhibition of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087772
PNG
(3-[3-(4-Methoxy-phenyl)-3-oxo-propenyl]-benzamide ...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cccc(c1)C(N)=O
Show InChI InChI=1S/C17H15NO3/c1-21-15-8-6-13(7-9-15)16(19)10-5-12-3-2-4-14(11-12)17(18)20/h2-11H,1H3,(H2,18,20)/b10-5+
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1.80E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087770
PNG
(3-(3-Oxo-3-pyridin-2-yl-propenyl)-benzamide | CHEM...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)c2ccccn2)c1
Show InChI InChI=1S/C15H12N2O2/c16-15(19)12-5-3-4-11(10-12)7-8-14(18)13-6-1-2-9-17-13/h1-10H,(H2,16,19)/b8-7+
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1.80E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087769
PNG
(3-(3-Furan-2-yl-3-oxo-propenyl)-benzamide | CHEMBL...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)c2ccco2)c1
Show InChI InChI=1S/C14H11NO3/c15-14(17)11-4-1-3-10(9-11)6-7-12(16)13-5-2-8-18-13/h1-9H,(H2,15,17)/b7-6+
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1.90E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087768
PNG
(3-[3-(4-Dimethylamino-phenyl)-3-oxo-propenyl]-benz...)
Show SMILES CN(C)c1ccc(cc1)C(=O)\C=C\c1cccc(c1)C(N)=O
Show InChI InChI=1S/C18H18N2O2/c1-20(2)16-9-7-14(8-10-16)17(21)11-6-13-4-3-5-15(12-13)18(19)22/h3-12H,1-2H3,(H2,19,22)/b11-6+
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9.00E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087773
PNG
(3-(3-Oxo-but-1-enyl)-benzamide | CHEMBL47015)
Show SMILES CC(=O)C=Cc1cccc(c1)C(N)=O
Show InChI InChI=1S/C11H11NO2/c1-8(13)5-6-9-3-2-4-10(7-9)11(12)14/h2-7H,1H3,(H2,12,14)
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2.50E+4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087787
PNG
(3-Formyl-benzamide | CHEMBL43885)
Show SMILES NC(=O)c1cccc(C=O)c1
Show InChI InChI=1S/C8H7NO2/c9-8(11)7-3-1-2-6(4-7)5-10/h1-5H,(H2,9,11)
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1.04E+5n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Rhinovirus (HRV-14) 3C Protease


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087778
PNG
(3-(4-Benzyloxy-3-carbamoyl-phenyl)-acrylic acid et...)
Show SMILES CCOC(=O)\C=C\c1ccc(OCc2ccccc2)c(c1)C(N)=O
Show InChI InChI=1S/C19H19NO4/c1-2-23-18(21)11-9-14-8-10-17(16(12-14)19(20)22)24-13-15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H2,20,22)/b11-9+
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Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087776
PNG
(3-[3-Carbamoyl-5-(5-pyridin-2-yl-[1,3,4]oxadiazol-...)
Show SMILES CCOC(=O)\C=C\c1cc(CSc2nnc(o2)-c2ccccn2)cc(c1)C(N)=O
Show InChI InChI=1S/C20H18N4O4S/c1-2-27-17(25)7-6-13-9-14(11-15(10-13)18(21)26)12-29-20-24-23-19(28-20)16-5-3-4-8-22-16/h3-11H,2,12H2,1H3,(H2,21,26)/b7-6+
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Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087777
PNG
(3-(3-Carbamoyl-5-hydroxymethyl-phenyl)-acrylic aci...)
Show SMILES CCOC(=O)\C=C\c1cc(CO)cc(c1)C(N)=O
Show InChI InChI=1S/C13H15NO4/c1-2-18-12(16)4-3-9-5-10(8-15)7-11(6-9)13(14)17/h3-7,15H,2,8H2,1H3,(H2,14,17)/b4-3+
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Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087779
PNG
(3-(3-Carbamoyl-phenyl)-acrylic acid 2-hydroxy-ethy...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)OCCO)c1
Show InChI InChI=1S/C12H13NO4/c13-12(16)10-3-1-2-9(8-10)4-5-11(15)17-7-6-14/h1-5,8,14H,6-7H2,(H2,13,16)/b5-4+
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n/an/an/an/a 2.00E+4n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087766
PNG
(1-Oxo-1H-indene-5-carboxylic acid amide | CHEMBL47...)
Show SMILES NC(=O)c1ccc2C(=O)C=Cc2c1
Show InChI InChI=1S/C10H7NO2/c11-10(13)7-1-3-8-6(5-7)2-4-9(8)12/h1-5H,(H2,11,13)
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Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087772
PNG
(3-[3-(4-Methoxy-phenyl)-3-oxo-propenyl]-benzamide ...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cccc(c1)C(N)=O
Show InChI InChI=1S/C17H15NO3/c1-21-15-8-6-13(7-9-15)16(19)10-5-12-3-2-4-14(11-12)17(18)20/h2-11H,1H3,(H2,18,20)/b10-5+
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Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087780
PNG
(3-(3-Oxo-3-phenyl-propenyl)-benzamide | CHEMBL2949...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)c2ccccc2)c1
Show InChI InChI=1S/C16H13NO2/c17-16(19)14-8-4-5-12(11-14)9-10-15(18)13-6-2-1-3-7-13/h1-11H,(H2,17,19)/b10-9+
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n/an/an/an/a 2.80E+4n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087781
PNG
(3-{3-Carbamoyl-5-[4-(2-cyano-phenyl)-piperazin-1-y...)
Show SMILES CCOC(=O)\C=C\c1cc(CN2CCN(CC2)c2ccccc2C#N)cc(c1)C(N)=O
Show InChI InChI=1S/C24H26N4O3/c1-2-31-23(29)8-7-18-13-19(15-21(14-18)24(26)30)17-27-9-11-28(12-10-27)22-6-4-3-5-20(22)16-25/h3-8,13-15H,2,9-12,17H2,1H3,(H2,26,30)/b8-7+
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n/an/an/an/a 600n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087782
PNG
(3-{3-[(Benzyl-ethoxycarbonylmethyl-amino)-methyl]-...)
Show SMILES CCOC(=O)CN(Cc1ccccc1)Cc1cc(\C=C\C(=O)OCC)cc(c1)C(N)=O
Show InChI InChI=1S/C24H28N2O5/c1-3-30-22(27)11-10-19-12-20(14-21(13-19)24(25)29)16-26(17-23(28)31-4-2)15-18-8-6-5-7-9-18/h5-14H,3-4,15-17H2,1-2H3,(H2,25,29)/b11-10+
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n/an/an/an/a 1.00E+4n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087788
PNG
(3-(3-Carbamoyl-phenyl)-acrylic acid benzyl ester |...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)OCc2ccccc2)c1
Show InChI InChI=1S/C17H15NO3/c18-17(20)15-8-4-7-13(11-15)9-10-16(19)21-12-14-5-2-1-3-6-14/h1-11H,12H2,(H2,18,20)/b10-9+
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Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087784
PNG
(3-(3-Carbamoyl-phenyl)-acrylic acid ethyl ester | ...)
Show SMILES CCOC(=O)\C=C\c1cccc(c1)C(N)=O
Show InChI InChI=1S/C12H13NO3/c1-2-16-11(14)7-6-9-4-3-5-10(8-9)12(13)15/h3-8H,2H2,1H3,(H2,13,15)/b7-6+
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n/an/an/an/a 1.59E+4n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087785
PNG
(3-(5-Carbamoyl-2-methyl-phenyl)-acrylic acid ethyl...)
Show SMILES CCOC(=O)\C=C\c1cc(ccc1C)C(N)=O
Show InChI InChI=1S/C13H15NO3/c1-3-17-12(15)7-6-10-8-11(13(14)16)5-4-9(10)2/h4-8H,3H2,1-2H3,(H2,14,16)/b7-6+
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Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087786
PNG
(3-(3-Carbamoyl-5-hydroxy-phenyl)-acrylic acid ethy...)
Show SMILES CCOC(=O)\C=C\c1cc(O)cc(c1)C(N)=O
Show InChI InChI=1S/C12H13NO4/c1-2-17-11(15)4-3-8-5-9(12(13)16)7-10(14)6-8/h3-7,14H,2H2,1H3,(H2,13,16)/b4-3+
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Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087783
PNG
(3-[3-Carbamoyl-5-(4-pyridin-2-yl-piperazin-1-ylmet...)
Show SMILES CCOC(=O)\C=C\c1cc(CN2CCN(CC2)c2ccccn2)cc(c1)C(N)=O
Show InChI InChI=1S/C22H26N4O3/c1-2-29-21(27)7-6-17-13-18(15-19(14-17)22(23)28)16-25-9-11-26(12-10-25)20-5-3-4-8-24-20/h3-8,13-15H,2,9-12,16H2,1H3,(H2,23,28)/b7-6+
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n/an/an/an/a 2.50E+3n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087768
PNG
(3-[3-(4-Dimethylamino-phenyl)-3-oxo-propenyl]-benz...)
Show SMILES CN(C)c1ccc(cc1)C(=O)\C=C\c1cccc(c1)C(N)=O
Show InChI InChI=1S/C18H18N2O2/c1-20(2)16-9-7-14(8-10-16)17(21)11-6-13-4-3-5-15(12-13)18(19)22/h3-12H,1-2H3,(H2,19,22)/b11-6+
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n/an/an/an/a>1.50E+4n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087775
PNG
(3-{3-Carbamoyl-5-[(ethyl-pyridin-4-ylmethyl-amino)...)
Show SMILES CCOC(=O)\C=C\c1cc(CN(CC)Cc2ccncc2)cc(c1)C(N)=O
Show InChI InChI=1S/C21H25N3O3/c1-3-24(14-16-7-9-23-10-8-16)15-18-11-17(5-6-20(25)27-4-2)12-19(13-18)21(22)26/h5-13H,3-4,14-15H2,1-2H3,(H2,22,26)/b6-5+
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n/an/an/an/a 5.80E+3n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087773
PNG
(3-(3-Oxo-but-1-enyl)-benzamide | CHEMBL47015)
Show SMILES CC(=O)C=Cc1cccc(c1)C(N)=O
Show InChI InChI=1S/C11H11NO2/c1-8(13)5-6-9-3-2-4-10(7-9)11(12)14/h2-7H,1H3,(H2,12,14)
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n/an/an/an/a 3.20E+4n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087770
PNG
(3-(3-Oxo-3-pyridin-2-yl-propenyl)-benzamide | CHEM...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)c2ccccn2)c1
Show InChI InChI=1S/C15H12N2O2/c16-15(19)12-5-3-4-11(10-12)7-8-14(18)13-6-1-2-9-17-13/h1-10H,(H2,16,19)/b8-7+
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n/an/an/an/a 5.00E+4n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087771
PNG
(3-(3-Carbamoyl-phenyl)-acrylic acid phenethyl este...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)OCCc2ccccc2)c1
Show InChI InChI=1S/C18H17NO3/c19-18(21)16-8-4-7-15(13-16)9-10-17(20)22-12-11-14-5-2-1-3-6-14/h1-10,13H,11-12H2,(H2,19,21)/b10-9+
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n/an/an/an/a 1.00E+5n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087769
PNG
(3-(3-Furan-2-yl-3-oxo-propenyl)-benzamide | CHEMBL...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)c2ccco2)c1
Show InChI InChI=1S/C14H11NO3/c15-14(17)11-4-1-3-10(9-11)6-7-12(16)13-5-2-8-18-13/h1-9H,(H2,15,17)/b7-6+
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n/an/an/an/a>7.10E+4n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087767
PNG
(3-(3-Carbamoyl-phenyl)-2-cyano-acrylic acid ethyl ...)
Show SMILES CCOC(=O)C(=C\c1cccc(c1)C(N)=O)\C#N
Show InChI InChI=1S/C13H12N2O3/c1-2-18-13(17)11(8-14)7-9-4-3-5-10(6-9)12(15)16/h3-7H,2H2,1H3,(H2,15,16)/b11-7+
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n/an/an/an/a>1.00E+5n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087763
PNG
(4-[3-Carbamoyl-5-(2-ethoxycarbonyl-vinyl)-benzyl]-...)
Show SMILES CCOC(=O)\C=C\c1cc(CN2CCN(CC2)C(=O)OCC)cc(c1)C(N)=O
Show InChI InChI=1S/C20H27N3O5/c1-3-27-18(24)6-5-15-11-16(13-17(12-15)19(21)25)14-22-7-9-23(10-8-22)20(26)28-4-2/h5-6,11-13H,3-4,7-10,14H2,1-2H3,(H2,21,25)/b6-5+
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n/an/an/an/a 1.80E+3n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087764
PNG
(3-(3-Carbamoyl-phenyl)-acrylic acid methyl ester |...)
Show SMILES COC(=O)\C=C\c1cccc(c1)C(N)=O
Show InChI InChI=1S/C11H11NO3/c1-15-10(13)6-5-8-3-2-4-9(7-8)11(12)14/h2-7H,1H3,(H2,12,14)/b6-5+
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n/an/an/an/a 1.50E+5n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087762
PNG
(3-(3-Carbamoyl-phenyl)-acrylic acid pyridin-2-ylme...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)OCc2ccccn2)c1
Show InChI InChI=1S/C16H14N2O3/c17-16(20)13-5-3-4-12(10-13)7-8-15(19)21-11-14-6-1-2-9-18-14/h1-10H,11H2,(H2,17,20)/b8-7+
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n/an/an/an/a 1.00E+4n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50087774
PNG
(3-[3-Carbamoyl-5-(4-pyrimidin-2-yl-piperazin-1-ylm...)
Show SMILES CCOC(=O)\C=C\c1cc(CN2CCN(CC2)c2ncccn2)cc(c1)C(N)=O
Show InChI InChI=1S/C21H25N5O3/c1-2-29-19(27)5-4-16-12-17(14-18(13-16)20(22)28)15-25-8-10-26(11-9-25)21-23-6-3-7-24-21/h3-7,12-14H,2,8-11,15H2,1H3,(H2,22,28)/b5-4+
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n/an/an/an/a 1.00E+3n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


Article DOI: 10.1021/jm9903242
BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair