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PubMed code 8978838

Compile data set for download or QSAR
Found 24 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
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055234
PNG
(1-(6-Methoxy-naphthalen-2-ylmethyl)-2,3-dioxo-2,3-...)
Show SMILES COc1ccc2cc(CN3C(=O)C(=O)c4cc(ccc34)C(N)=O)ccc2c1
Show InChI InChI=1S/C21H16N2O4/c1-27-16-6-4-13-8-12(2-3-14(13)9-16)11-23-18-7-5-15(20(22)25)10-17(18)19(24)21(23)26/h2-10H,11H2,1H3,(H2,22,25)
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3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055232
PNG
(1-(6-Hydroxy-naphthalen-2-ylmethyl)-2,3-dioxo-2,3-...)
Show SMILES NC(=O)c1ccc2N(Cc3ccc4cc(O)ccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H14N2O4/c21-19(25)14-4-6-17-16(9-14)18(24)20(26)22(17)10-11-1-2-13-8-15(23)5-3-12(13)7-11/h1-9,23H,10H2,(H2,21,25)
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4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055218
PNG
(1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...)
Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)
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4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055213
PNG
(1-(3,5-Dihydroxy-benzyl)-2,3-dioxo-2,3-dihydro-1H-...)
Show SMILES NC(=O)c1ccc2N(Cc3cc(O)cc(O)c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C16H12N2O5/c17-15(22)9-1-2-13-12(5-9)14(21)16(23)18(13)7-8-3-10(19)6-11(20)4-8/h1-6,19-20H,7H2,(H2,17,22)
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4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055217
PNG
(1-(3,4-Dimethyl-benzyl)-2,3-dioxo-2,3-dihydro-1H-i...)
Show SMILES Cc1ccc(CN2C(=O)C(=O)c3cc(ccc23)C(N)=O)cc1C
Show InChI InChI=1S/C18H16N2O3/c1-10-3-4-12(7-11(10)2)9-20-15-6-5-13(17(19)22)8-14(15)16(21)18(20)23/h3-8H,9H2,1-2H3,(H2,19,22)
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6n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055225
PNG
(1-(4-Methyl-benzyl)-2,3-dioxo-2,3-dihydro-1H-indol...)
Show SMILES Cc1ccc(CN2C(=O)C(=O)c3cc(ccc23)C(N)=O)cc1
Show InChI InChI=1S/C17H14N2O3/c1-10-2-4-11(5-3-10)9-19-14-7-6-12(16(18)21)8-13(14)15(20)17(19)22/h2-8H,9H2,1H3,(H2,18,21)
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10n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055212
PNG
(1-(3-Hydroxy-benzyl)-2,3-dioxo-2,3-dihydro-1H-indo...)
Show SMILES NC(=O)c1ccc2N(Cc3cccc(O)c3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C16H12N2O4/c17-15(21)10-4-5-13-12(7-10)14(20)16(22)18(13)8-9-2-1-3-11(19)6-9/h1-7,19H,8H2,(H2,17,21)
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11n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055220
PNG
(1-Benzyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxy...)
Show SMILES NC(=O)c1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C16H12N2O3/c17-15(20)11-6-7-13-12(8-11)14(19)16(21)18(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,20)
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19n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055229
PNG
(1-(3,5-Dimethoxy-benzyl)-2,3-dioxo-2,3-dihydro-1H-...)
Show SMILES COc1cc(CN2C(=O)C(=O)c3cc(ccc23)C(N)=O)cc(OC)c1
Show InChI InChI=1S/C18H16N2O5/c1-24-12-5-10(6-13(8-12)25-2)9-20-15-4-3-11(17(19)22)7-14(15)16(21)18(20)23/h3-8H,9H2,1-2H3,(H2,19,22)
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25n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055226
PNG
(2,3-Dioxo-1-(3-phenyl-propyl)-2,3-dihydro-1H-indol...)
Show SMILES NC(=O)c1ccc2N(CCCc3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C18H16N2O3/c19-17(22)13-8-9-15-14(11-13)16(21)18(23)20(15)10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H2,19,22)
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27n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055214
PNG
(1-(3-Methoxy-benzyl)-2,3-dioxo-2,3-dihydro-1H-indo...)
Show SMILES COc1cccc(CN2C(=O)C(=O)c3cc(ccc23)C(N)=O)c1
Show InChI InChI=1S/C17H14N2O4/c1-23-12-4-2-3-10(7-12)9-19-14-6-5-11(16(18)21)8-13(14)15(20)17(19)22/h2-8H,9H2,1H3,(H2,18,21)
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29n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055230
PNG
(1-Biphenyl-4-ylmethyl-2,3-dioxo-2,3-dihydro-1H-ind...)
Show SMILES NC(=O)c1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H16N2O3/c23-21(26)17-10-11-19-18(12-17)20(25)22(27)24(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2,(H2,23,26)
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48n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055228
PNG
(5-Acetyl-1-methyl-1H-indole-2,3-dione | CHEMBL1498...)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)C(C)=O
Show InChI InChI=1S/C11H9NO3/c1-6(13)7-3-4-9-8(5-7)10(14)11(15)12(9)2/h3-5H,1-2H3
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1.20E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055231
PNG
(5-Methanesulfinyl-1-methyl-1H-indole-2,3-dione | C...)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)S(C)=O
Show InChI InChI=1S/C10H9NO3S/c1-11-8-4-3-6(15(2)14)5-7(8)9(12)10(11)13/h3-5H,1-2H3
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8.20E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055224
PNG
(1-Methyl-5-nitro-1H-indole-2,3-dione | CHEMBL29362...)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)[N+]([O-])=O
Show InChI InChI=1S/C9H6N2O4/c1-10-7-3-2-5(11(14)15)4-6(7)8(12)9(10)13/h2-4H,1H3
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9.70E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055219
PNG
(1-Methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxy...)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)C(O)=O
Show InChI InChI=1S/C10H7NO4/c1-11-7-3-2-5(10(14)15)4-6(7)8(12)9(11)13/h2-4H,1H3,(H,14,15)
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1.00E+4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055227
PNG
(1-Methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboth...)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)C(N)=S
Show InChI InChI=1S/C10H8N2O2S/c1-12-7-3-2-5(9(11)15)4-6(7)8(13)10(12)14/h2-4H,1H3,(H2,11,15)
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1.10E+4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055222
PNG
(1-Methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxy...)
Show SMILES CNC(=O)c1ccc2N(C)C(=O)C(=O)c2c1
Show InChI InChI=1S/C11H10N2O3/c1-12-10(15)6-3-4-8-7(5-6)9(14)11(16)13(8)2/h3-5H,1-2H3,(H,12,15)
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1.20E+4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM10301
PNG
(CHEMBL64582 | Isatin analog 5 | methyl 1-methyl-2,...)
Show SMILES COC(=O)c1ccc2N(C)C(=O)C(=O)c2c1
Show InChI InChI=1S/C11H9NO4/c1-12-8-4-3-6(11(15)16-2)5-7(8)9(13)10(12)14/h3-5H,1-2H3
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3.00E+4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM10302
PNG
(5-iodo-1-methyl-2,3-dihydro-1H-indole-2,3-dione | ...)
Show SMILES CN1C(=O)C(=O)c2cc(I)ccc12
Show InChI InChI=1S/C9H6INO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3
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3.00E+4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055233
PNG
(1-Methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxy...)
Show SMILES CN(C)C(=O)c1ccc2N(C)C(=O)C(=O)c2c1
Show InChI InChI=1S/C12H12N2O3/c1-13(2)11(16)7-4-5-9-8(6-7)10(15)12(17)14(9)3/h4-6H,1-3H3
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3.30E+4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM10303
PNG
(1-methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboni...)
Show SMILES CN1C(=O)C(=O)c2cc(ccc12)C#N
Show InChI InChI=1S/C10H6N2O2/c1-12-8-3-2-6(5-11)4-7(8)9(13)10(12)14/h2-4H,1H3
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5.10E+4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM50055223
PNG
(5-Chloro-1-methyl-1H-indole-2,3-dione | CHEMBL3443...)
Show SMILES CN1C(=O)C(=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C9H6ClNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3
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5.90E+4n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
Human rhinovirus A protease


(Human rhinovirus B)
BDBM10304
PNG
(1-methyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL6...)
Show SMILES CN1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human rhinovirus 3C protease


J Med Chem 39: 5072-82 (1997)


Article DOI: 10.1021/jm960603e
BindingDB Entry DOI: 10.7270/Q2K936MP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%