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PubMed code 10197965

Compile data set for download or QSAR
Found 13 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)		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 1.60E+3n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
The EC50 was calculated as the concentration of drug that increased the percentage of formazan production in drug treated,virus infected cells to 50%...

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075614
PNG
((E)-(S)-4-{(2R,5S)-2-(4-Fluoro-benzyl)-6-methyl-5-...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1
Show InChI InChI=1S/C32H41FN4O7/c1-5-43-28(39)13-12-25(17-22-7-6-14-34-30(22)40)35-31(41)23(16-21-8-10-24(33)11-9-21)18-27(38)29(19(2)3)36-32(42)26-15-20(4)44-37-26/h8-13,15,19,22-23,25,29H,5-7,14,16-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)/b13-12+/t22-,23+,25+,29-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075615
PNG
((E)-(S)-4-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-m...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C35H46N4O7/c1-4-45-31(40)18-17-28(22-27-16-11-19-36-32(27)41)37-33(42)30(21-25-12-7-5-8-13-25)38-34(43)29(20-24(2)3)39-35(44)46-23-26-14-9-6-10-15-26/h5-10,12-15,17-18,24,27-30H,4,11,16,19-23H2,1-3H3,(H,36,41)(H,37,42)(H,38,43)(H,39,44)/b18-17+/t27-,28+,29-,30-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50065732
PNG
((E)-(S)-4-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-m...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(=O)N(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C34H46N4O7/c1-6-44-31(40)20-18-27(17-19-30(39)38(4)5)35-32(41)29(22-25-13-9-7-10-14-25)36-33(42)28(21-24(2)3)37-34(43)45-23-26-15-11-8-12-16-26/h7-16,18,20,24,27-29H,6,17,19,21-23H2,1-5H3,(H,35,41)(H,36,42)(H,37,43)/b20-18+/t27-,28-,29-/m0/s1
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n/an/an/an/a 4.00E+3n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075610
PNG
((E)-(S)-4-[(S)-2-{(S)-3,3-Dimethyl-2-[(5-methyl-is...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)(C)C
Show InChI InChI=1S/C31H40FN5O7/c1-6-43-25(38)12-11-22(17-20-13-14-33-27(20)39)34-28(40)23(16-19-7-9-21(32)10-8-19)35-30(42)26(31(3,4)5)36-29(41)24-15-18(2)44-37-24/h7-12,15,20,22-23,26H,6,13-14,16-17H2,1-5H3,(H,33,39)(H,34,40)(H,35,42)(H,36,41)/b12-11+/t20-,22+,23-,26+/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM11230
PNG
(AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r|
Show InChI InChI=1S/C33H42N4O7/c1-4-43-28(38)16-15-26(20-25-17-18-34-30(25)39)35-31(40)27(19-23-11-7-5-8-12-23)36-32(41)29(22(2)3)37-33(42)44-21-24-13-9-6-10-14-24/h5-16,22,25-27,29H,4,17-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b16-15+/t25-,26+,27-,29-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075611
PNG
((E)-(S)-4-((S)-3-(4-Fluoro-phenyl)-2-{(S)-3-methyl...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C
Show InChI InChI=1S/C31H40FN5O7/c1-5-43-26(38)13-12-23(17-21-7-6-14-33-28(21)39)34-29(40)24(16-20-8-10-22(32)11-9-20)35-31(42)27(18(2)3)36-30(41)25-15-19(4)44-37-25/h8-13,15,18,21,23-24,27H,5-7,14,16-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,42)(H,36,41)/b13-12+/t21-,23+,24-,27-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM11229
PNG
(AG7088 analogue 2a | CHEMBL20636 | N-[(5-methyliso...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C |r|
Show InChI InChI=1S/C30H38FN5O7/c1-5-42-25(37)11-10-22(16-20-12-13-32-27(20)38)33-28(39)23(15-19-6-8-21(31)9-7-19)34-30(41)26(17(2)3)35-29(40)24-14-18(4)43-36-24/h6-11,14,17,20,22-23,26H,5,12-13,15-16H2,1-4H3,(H,32,38)(H,33,39)(H,34,41)(H,35,40)/b11-10+/t20-,22+,23-,26-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
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



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM11243
PNG
(AG7088 | CHEMBL20210 | US11859014, Compound rupint...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075612
PNG
((E)-(S)-4-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-m...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C34H44N4O7/c1-4-44-30(39)16-15-27(21-26-17-18-35-31(26)40)36-32(41)29(20-24-11-7-5-8-12-24)37-33(42)28(19-23(2)3)38-34(43)45-22-25-13-9-6-10-14-25/h5-16,23,26-29H,4,17-22H2,1-3H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/b16-15+/t26-,27-,28+,29+/m1/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075613
PNG
((E)-(R)-4-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-m...)
Show SMILES CCOC(=O)\C=C\[C@H](CN1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N5O7/c1-4-44-29(39)16-15-26(21-38-18-17-34-32(38)42)35-30(40)28(20-24-11-7-5-8-12-24)36-31(41)27(19-23(2)3)37-33(43)45-22-25-13-9-6-10-14-25/h5-16,23,26-28H,4,17-22H2,1-3H3,(H,34,42)(H,35,40)(H,36,41)(H,37,43)/b16-15+/t26-,27+,28+/m1/s1
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n/an/an/an/a 600n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50065693
PNG
((E)-(S)-4-[(S)-2-((S)-2-Benzyloxycarbonylamino-4-m...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(=O)NC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C33H44N4O7/c1-5-43-30(39)19-17-26(16-18-29(38)34-4)35-31(40)28(21-24-12-8-6-9-13-24)36-32(41)27(20-23(2)3)37-33(42)44-22-25-14-10-7-11-15-25/h6-15,17,19,23,26-28H,5,16,18,20-22H2,1-4H3,(H,34,38)(H,35,40)(H,36,41)(H,37,42)/b19-17+/t26-,27-,28-/m0/s1
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n/an/an/an/a 5.60E+3n/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% control drug free uninfected cells on serotype 14

J Med Chem 42: 1213-24 (1999)


Article DOI: 10.1021/jm9805384
BindingDB Entry DOI: 10.7270/Q2MW2G9R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%