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PubMed code 10197964

Compile data set for download or QSAR
Found 32 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)		BDBM50075603
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H42F3N3O6S/c1-4-43-27(40)16-14-23(13-15-26(35)39)36-29(41)21(17-20-9-11-22(12-10-20)31(32,33)34)18-25(38)28(19(2)3)37-30(42)44-24-7-5-6-8-24/h9-12,14,16,19,21,23-24,28H,4-8,13,15,17-18H2,1-3H3,(H2,35,39)(H,36,41)(H,37,42)/b16-14+/t21-,23+,28+/m1/s1
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n/an/an/an/a 50n/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075603
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H42F3N3O6S/c1-4-43-27(40)16-14-23(13-15-26(35)39)36-29(41)21(17-20-9-11-22(12-10-20)31(32,33)34)18-25(38)28(19(2)3)37-30(42)44-24-7-5-6-8-24/h9-12,14,16,19,21,23-24,28H,4-8,13,15,17-18H2,1-3H3,(H2,35,39)(H,36,41)(H,37,42)/b16-14+/t21-,23+,28+/m1/s1
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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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075601
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-benzyloxycarbonylami...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C33H43N3O7/c1-4-42-31(39)18-16-27(15-17-30(34)38)35-32(40)26(20-24-11-7-5-8-12-24)21-29(37)28(19-23(2)3)36-33(41)43-22-25-13-9-6-10-14-25/h5-14,16,18,23,26-28H,4,15,17,19-22H2,1-3H3,(H2,34,38)(H,35,40)(H,36,41)/b18-16+/t26-,27+,28+/m1/s1
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n/an/an/an/a 360n/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075600
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(C)cc1
Show InChI InChI=1S/C31H45N3O6S/c1-5-40-28(37)17-15-24(14-16-27(32)36)33-30(38)23(18-22-12-10-21(4)11-13-22)19-26(35)29(20(2)3)34-31(39)41-25-8-6-7-9-25/h10-13,15,17,20,23-25,29H,5-9,14,16,18-19H2,1-4H3,(H2,32,36)(H,33,38)(H,34,39)/b17-15+/t23-,24+,29+/m1/s1
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n/an/an/an/a 6n/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075602
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-cyclopentylsulfanylc...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccccc1
Show InChI InChI=1S/C30H43N3O6S/c1-4-39-27(36)17-15-23(14-16-26(31)35)32-29(37)22(18-21-10-6-5-7-11-21)19-25(34)28(20(2)3)33-30(38)40-24-12-8-9-13-24/h5-7,10-11,15,17,20,22-24,28H,4,8-9,12-14,16,18-19H2,1-3H3,(H2,31,35)(H,32,37)(H,33,38)/b17-15+/t22-,23+,28+/m1/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075603
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H42F3N3O6S/c1-4-43-27(40)16-14-23(13-15-26(35)39)36-29(41)21(17-20-9-11-22(12-10-20)31(32,33)34)18-25(38)28(19(2)3)37-30(42)44-24-7-5-6-8-24/h9-12,14,16,19,21,23-24,28H,4-8,13,15,17-18H2,1-3H3,(H2,35,39)(H,36,41)(H,37,42)/b16-14+/t21-,23+,28+/m1/s1
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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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075604
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H42FN3O6S/c1-4-40-27(37)16-14-23(13-15-26(32)36)33-29(38)21(17-20-9-11-22(31)12-10-20)18-25(35)28(19(2)3)34-30(39)41-24-7-5-6-8-24/h9-12,14,16,19,21,23-24,28H,4-8,13,15,17-18H2,1-3H3,(H2,32,36)(H,33,38)(H,34,39)/b16-14+/t21-,23+,28+/m1/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075607
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H44FN3O6S/c1-4-41-29(38)16-14-24(13-15-28(33)37)34-30(39)22(18-21-9-11-23(32)12-10-21)19-27(36)26(17-20(2)3)35-31(40)42-25-7-5-6-8-25/h9-12,14,16,20,22,24-26H,4-8,13,15,17-19H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)/b16-14+/t22-,24+,26+/m1/s1
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n/an/an/an/a 100n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075600
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(C)cc1
Show InChI InChI=1S/C31H45N3O6S/c1-5-40-28(37)17-15-24(14-16-27(32)36)33-30(38)23(18-22-12-10-21(4)11-13-22)19-26(35)29(20(2)3)34-31(39)41-25-8-6-7-9-25/h10-13,15,17,20,23-25,29H,5-9,14,16,18-19H2,1-4H3,(H2,32,36)(H,33,38)(H,34,39)/b17-15+/t23-,24+,29+/m1/s1
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n/an/an/an/a 60n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075603
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H42F3N3O6S/c1-4-43-27(40)16-14-23(13-15-26(35)39)36-29(41)21(17-20-9-11-22(12-10-20)31(32,33)34)18-25(38)28(19(2)3)37-30(42)44-24-7-5-6-8-24/h9-12,14,16,19,21,23-24,28H,4-8,13,15,17-18H2,1-3H3,(H2,35,39)(H,36,41)(H,37,42)/b16-14+/t21-,23+,28+/m1/s1
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n/an/an/an/a 160n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075599
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1)Cc1ccc(C)cc1
Show InChI InChI=1S/C32H47N3O6S/c1-5-41-30(38)17-15-25(14-16-29(33)37)34-31(39)24(19-23-12-10-22(4)11-13-23)20-28(36)27(18-21(2)3)35-32(40)42-26-8-6-7-9-26/h10-13,15,17,21,24-27H,5-9,14,16,18-20H2,1-4H3,(H2,33,37)(H,34,39)(H,35,40)/b17-15+/t24-,25+,27+/m1/s1
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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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075600
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(C)cc1
Show InChI InChI=1S/C31H45N3O6S/c1-5-40-28(37)17-15-24(14-16-27(32)36)33-30(38)23(18-22-12-10-21(4)11-13-22)19-26(35)29(20(2)3)34-31(39)41-25-8-6-7-9-25/h10-13,15,17,20,23-25,29H,5-9,14,16,18-19H2,1-4H3,(H2,32,36)(H,33,38)(H,34,39)/b17-15+/t23-,24+,29+/m1/s1
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n/an/an/an/a 130n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075602
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-cyclopentylsulfanylc...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccccc1
Show InChI InChI=1S/C30H43N3O6S/c1-4-39-27(36)17-15-23(14-16-26(31)35)32-29(37)22(18-21-10-6-5-7-11-21)19-25(34)28(20(2)3)33-30(38)40-24-12-8-9-13-24/h5-7,10-11,15,17,20,22-24,28H,4,8-9,12-14,16,18-19H2,1-3H3,(H2,31,35)(H,32,37)(H,33,38)/b17-15+/t22-,23+,28+/m1/s1
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n/an/an/an/a 100n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075599
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1)Cc1ccc(C)cc1
Show InChI InChI=1S/C32H47N3O6S/c1-5-41-30(38)17-15-25(14-16-29(33)37)34-31(39)24(19-23-12-10-22(4)11-13-23)20-28(36)27(18-21(2)3)35-32(40)42-26-8-6-7-9-26/h10-13,15,17,21,24-27H,5-9,14,16,18-20H2,1-4H3,(H2,33,37)(H,34,39)(H,35,40)/b17-15+/t24-,25+,27+/m1/s1
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n/an/an/an/a 1.00E+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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075607
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H44FN3O6S/c1-4-41-29(38)16-14-24(13-15-28(33)37)34-30(39)22(18-21-9-11-23(32)12-10-21)19-27(36)26(17-20(2)3)35-31(40)42-25-7-5-6-8-25/h9-12,14,16,20,22,24-26H,4-8,13,15,17-19H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)/b16-14+/t22-,24+,26+/m1/s1
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n/an/an/an/a 600n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075607
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H44FN3O6S/c1-4-41-29(38)16-14-24(13-15-28(33)37)34-30(39)22(18-21-9-11-23(32)12-10-21)19-27(36)26(17-20(2)3)35-31(40)42-25-7-5-6-8-25/h9-12,14,16,20,22,24-26H,4-8,13,15,17-19H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)/b16-14+/t22-,24+,26+/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
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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075599
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1)Cc1ccc(C)cc1
Show InChI InChI=1S/C32H47N3O6S/c1-5-41-30(38)17-15-25(14-16-29(33)37)34-31(39)24(19-23-12-10-22(4)11-13-23)20-28(36)27(18-21(2)3)35-32(40)42-26-8-6-7-9-26/h10-13,15,17,21,24-27H,5-9,14,16,18-20H2,1-4H3,(H2,33,37)(H,34,39)(H,35,40)/b17-15+/t24-,25+,27+/m1/s1
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n/an/an/an/a 160n/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075606
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-cyclopentylsulfanylc...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C31H45N3O6S/c1-5-40-27(37)18-16-23(15-17-26(32)36)33-29(38)22(19-21-11-7-6-8-12-21)20-25(35)28(31(2,3)4)34-30(39)41-24-13-9-10-14-24/h6-8,11-12,16,18,22-24,28H,5,9-10,13-15,17,19-20H2,1-4H3,(H2,32,36)(H,33,38)(H,34,39)/b18-16+/t22-,23+,28-/m1/s1
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n/an/an/an/a 50n/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075605
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-cyclopentylsulfanylc...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1)Cc1ccccc1
Show InChI InChI=1S/C31H45N3O6S/c1-4-40-29(37)17-15-24(14-16-28(32)36)33-30(38)23(19-22-10-6-5-7-11-22)20-27(35)26(18-21(2)3)34-31(39)41-25-12-8-9-13-25/h5-7,10-11,15,17,21,23-26H,4,8-9,12-14,16,18-20H2,1-3H3,(H2,32,36)(H,33,38)(H,34,39)/b17-15+/t23-,24+,26+/m1/s1
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n/an/an/an/a 190n/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075607
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1)Cc1ccc(F)cc1
Show InChI InChI=1S/C31H44FN3O6S/c1-4-41-29(38)16-14-24(13-15-28(33)37)34-30(39)22(18-21-9-11-23(32)12-10-21)19-27(36)26(17-20(2)3)35-31(40)42-25-7-5-6-8-25/h9-12,14,16,20,22,24-26H,4-8,13,15,17-19H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)/b16-14+/t22-,24+,26+/m1/s1
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n/an/an/an/a 280n/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075609
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-benzylsulfanylcarbon...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C33H43N3O6S/c1-4-42-31(39)18-16-27(15-17-30(34)38)35-32(40)26(20-24-11-7-5-8-12-24)21-29(37)28(19-23(2)3)36-33(41)43-22-25-13-9-6-10-14-25/h5-14,16,18,23,26-28H,4,15,17,19-22H2,1-3H3,(H2,34,38)(H,35,40)(H,36,41)/b18-16+/t26-,27+,28+/m1/s1
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n/an/an/an/a 680n/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075606
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-cyclopentylsulfanylc...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C31H45N3O6S/c1-5-40-27(37)18-16-23(15-17-26(32)36)33-29(38)22(19-21-11-7-6-8-12-21)20-25(35)28(31(2,3)4)34-30(39)41-24-13-9-10-14-24/h6-8,11-12,16,18,22-24,28H,5,9-10,13-15,17,19-20H2,1-4H3,(H2,32,36)(H,33,38)(H,34,39)/b18-16+/t22-,23+,28-/m1/s1
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n/an/an/an/a 500n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075604
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H42FN3O6S/c1-4-40-27(37)16-14-23(13-15-26(32)36)33-29(38)21(17-20-9-11-22(31)12-10-20)18-25(35)28(19(2)3)34-30(39)41-24-7-5-6-8-24/h9-12,14,16,19,21,23-24,28H,4-8,13,15,17-18H2,1-3H3,(H2,32,36)(H,33,38)(H,34,39)/b16-14+/t21-,23+,28+/m1/s1
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n/an/an/an/a 170n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075604
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H42FN3O6S/c1-4-40-27(37)16-14-23(13-15-26(32)36)33-29(38)21(17-20-9-11-22(31)12-10-20)18-25(35)28(19(2)3)34-30(39)41-24-7-5-6-8-24/h9-12,14,16,19,21,23-24,28H,4-8,13,15,17-18H2,1-3H3,(H2,32,36)(H,33,38)(H,34,39)/b16-14+/t21-,23+,28+/m1/s1
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n/an/an/an/a 130n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075602
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-cyclopentylsulfanylc...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccccc1
Show InChI InChI=1S/C30H43N3O6S/c1-4-39-27(36)17-15-23(14-16-26(31)35)32-29(37)22(18-21-10-6-5-7-11-21)19-25(34)28(20(2)3)33-30(38)40-24-12-8-9-13-24/h5-7,10-11,15,17,20,22-24,28H,4,8-9,12-14,16,18-19H2,1-3H3,(H2,31,35)(H,32,37)(H,33,38)/b17-15+/t22-,23+,28+/m1/s1
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n/an/an/an/a 35n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075606
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-cyclopentylsulfanylc...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C31H45N3O6S/c1-5-40-27(37)18-16-23(15-17-26(32)36)33-29(38)22(19-21-11-7-6-8-12-21)20-25(35)28(31(2,3)4)34-30(39)41-24-13-9-10-14-24/h6-8,11-12,16,18,22-24,28H,5,9-10,13-15,17,19-20H2,1-4H3,(H2,32,36)(H,33,38)(H,34,39)/b18-16+/t22-,23+,28-/m1/s1
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n/an/an/an/a 430n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075608
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-benzylsulfanylcarbon...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SCc1ccccc1)C(C)C)Cc1ccccc1
Show InChI InChI=1S/C32H41N3O6S/c1-4-41-29(38)18-16-26(15-17-28(33)37)34-31(39)25(19-23-11-7-5-8-12-23)20-27(36)30(22(2)3)35-32(40)42-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-26,30H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)/b18-16+/t25-,26+,30+/m1/s1
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n/an/an/an/a 190n/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% of control drug free uninfected cells on serotype 14

J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075600
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(C)cc1
Show InChI InChI=1S/C31H45N3O6S/c1-5-40-28(37)17-15-24(14-16-27(32)36)33-30(38)23(18-22-12-10-21(4)11-13-22)19-26(35)29(20(2)3)34-31(39)41-25-8-6-7-9-25/h10-13,15,17,20,23-25,29H,5-9,14,16,18-19H2,1-4H3,(H2,32,36)(H,33,38)(H,34,39)/b17-15+/t23-,24+,29+/m1/s1
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n/an/an/an/a 160n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075604
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)C)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H42FN3O6S/c1-4-40-27(37)16-14-23(13-15-26(32)36)33-29(38)21(17-20-9-11-22(31)12-10-20)18-25(35)28(19(2)3)34-30(39)41-24-7-5-6-8-24/h9-12,14,16,19,21,23-24,28H,4-8,13,15,17-18H2,1-3H3,(H2,32,36)(H,33,38)(H,34,39)/b16-14+/t21-,23+,28+/m1/s1
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n/an/an/an/a 160n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075606
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-cyclopentylsulfanylc...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)SC1CCCC1)C(C)(C)C)Cc1ccccc1
Show InChI InChI=1S/C31H45N3O6S/c1-5-40-27(37)18-16-23(15-17-26(32)36)33-29(38)22(19-21-11-7-6-8-12-21)20-25(35)28(31(2,3)4)34-30(39)41-24-13-9-10-14-24/h6-8,11-12,16,18,22-24,28H,5,9-10,13-15,17,19-20H2,1-4H3,(H2,32,36)(H,33,38)(H,34,39)/b18-16+/t22-,23+,28-/m1/s1
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n/an/an/an/a 360n/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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)		BDBM50075599
PNG
((E)-(S)-6-Carbamoyl-4-[(2R,5S)-5-cyclopentylsulfan...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SC1CCCC1)Cc1ccc(C)cc1
Show InChI InChI=1S/C32H47N3O6S/c1-5-41-30(38)17-15-25(14-16-29(33)37)34-31(39)24(19-23-12-10-22(4)11-13-23)20-28(36)27(18-21(2)3)35-32(40)42-26-8-6-7-9-26/h10-13,15,17,21,24-27H,5-9,14,16,18-20H2,1-4H3,(H2,33,37)(H,34,39)(H,35,40)/b17-15+/t24-,25+,27+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 1.40E+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: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%