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PubMed code 11585445

Compile data set for download or QSAR
Found 10 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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM700
PNG
((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Show SMILES O[C@H]([C@@H](O)[C@@H](Sc1cccs1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](Sc1cccs1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C32H32N2O6S4/c35-21-15-17-7-1-3-9-19(17)25(21)33-31(39)29(43-23-11-5-13-41-23)27(37)28(38)30(44-24-12-6-14-42-24)32(40)34-26-20-10-4-2-8-18(20)16-22(26)36/h1-14,21-22,25-30,35-38H,15-16H2,(H,33,39)(H,34,40)/t21-,22-,25+,26+,27-,28-,29-,30-/m1/s1
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PubMed
 0.5 -54.0n/an/an/an/an/a5.030



Stockholm University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3402-6 (2001)


Article DOI: 10.1021/jm0011169
BindingDB Entry DOI: 10.7270/Q2R78CCC
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM702
PNG
((2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)sulfanyl]-3,...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](Sc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C30H40F2N4O6S2/c1-15(2)21(27(39)33-5)35-29(41)25(43-19-13-9-7-11-17(19)31)23(37)24(38)26(44-20-14-10-8-12-18(20)32)30(42)36-22(16(3)4)28(40)34-6/h7-16,21-26,37-38H,1-6H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)/t21-,22-,23+,24+,25+,26+/m0/s1
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 0.570 -53.6n/an/an/an/an/a5.030



Stockholm University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3402-6 (2001)


Article DOI: 10.1021/jm0011169
BindingDB Entry DOI: 10.7270/Q2R78CCC
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM703
PNG
((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](Sc1cccs1)[C@H](O)[C@@H](O)[C@@H](Sc1cccs1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C26H38N4O6S4/c1-13(2)17(23(33)27-5)29-25(35)21(39-15-9-7-11-37-15)19(31)20(32)22(40-16-10-8-12-38-16)26(36)30-18(14(3)4)24(34)28-6/h7-14,17-22,31-32H,1-6H3,(H,27,33)(H,28,34)(H,29,35)(H,30,36)/t17-,18-,19+,20+,21+,22+/m0/s1
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 1 -52.2n/an/an/an/an/a5.030



Stockholm University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3402-6 (2001)


Article DOI: 10.1021/jm0011169
BindingDB Entry DOI: 10.7270/Q2R78CCC
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM694
PNG
((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Show SMILES O[C@H]([C@@H](O)[C@@H](Sc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](Sc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C36H36N2O6S2/c39-27-19-21-11-7-9-17-25(21)29(27)37-35(43)33(45-23-13-3-1-4-14-23)31(41)32(42)34(46-24-15-5-2-6-16-24)36(44)38-30-26-18-10-8-12-22(26)20-28(30)40/h1-18,27-34,39-42H,19-20H2,(H,37,43)(H,38,44)/t27-,28-,29+,30+,31-,32-,33-,34-/m1/s1
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 1.80 -50.7n/an/an/an/an/a5.030



Stockholm University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3402-6 (2001)


Article DOI: 10.1021/jm0011169
BindingDB Entry DOI: 10.7270/Q2R78CCC
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM701
PNG
((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](Sc1ccccc1)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C30H42N4O6S2/c1-17(2)21(27(37)31-5)33-29(39)25(41-19-13-9-7-10-14-19)23(35)24(36)26(42-20-15-11-8-12-16-20)30(40)34-22(18(3)4)28(38)32-6/h7-18,21-26,35-36H,1-6H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t21-,22-,23+,24+,25+,26+/m0/s1
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 1.80 -50.7n/an/an/an/an/a5.030



Stockholm University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3402-6 (2001)


Article DOI: 10.1021/jm0011169
BindingDB Entry DOI: 10.7270/Q2R78CCC
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM696
PNG
((2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)sulfanyl]-3,...)
Show SMILES O[C@H]([C@@H](O)[C@@H](Sc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](Sc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C36H34F2N2O6S2/c37-23-13-5-7-15-27(23)47-33(35(45)39-29-21-11-3-1-9-19(21)17-25(29)41)31(43)32(44)34(48-28-16-8-6-14-24(28)38)36(46)40-30-22-12-4-2-10-20(22)18-26(30)42/h1-16,25-26,29-34,41-44H,17-18H2,(H,39,45)(H,40,46)/t25-,26-,29+,30+,31-,32-,33-,34-/m1/s1
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 2.30 -50.1n/an/an/an/an/a5.030



Stockholm University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3402-6 (2001)


Article DOI: 10.1021/jm0011169
BindingDB Entry DOI: 10.7270/Q2R78CCC
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM695
PNG
((2R,3R,4R,5R)-2,5-bis(benzylsulfanyl)-3,4-dihydrox...)
Show SMILES O[C@H]([C@@H](O)[C@@H](SCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](SCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H40N2O6S2/c41-29-19-25-15-7-9-17-27(25)31(29)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-32-28-18-10-8-16-26(28)20-30(32)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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 2.80 -49.6n/an/an/an/an/a5.030



Stockholm University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3402-6 (2001)


Article DOI: 10.1021/jm0011169
BindingDB Entry DOI: 10.7270/Q2R78CCC
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM697
PNG
((2R,3R,4R,5R)-2,5-bis({[(2-fluorophenyl)methyl]sul...)
Show SMILES O[C@H]([C@@H](O)[C@@H](SCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](SCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H38F2N2O6S2/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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 4.30 -48.6n/an/an/an/an/a5.030



Stockholm University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3402-6 (2001)


Article DOI: 10.1021/jm0011169
BindingDB Entry DOI: 10.7270/Q2R78CCC
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM699
PNG
((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Show SMILES O[C@H]([C@@H](O)[C@@H](SCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](SCC=C)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C30H36N2O6S2/c1-3-13-39-27(29(37)31-23-19-11-7-5-9-17(19)15-21(23)33)25(35)26(36)28(40-14-4-2)30(38)32-24-20-12-8-6-10-18(20)16-22(24)34/h3-12,21-28,33-36H,1-2,13-16H2,(H,31,37)(H,32,38)/t21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
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 16 -45.2n/an/an/an/an/a5.030



Stockholm University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3402-6 (2001)


Article DOI: 10.1021/jm0011169
BindingDB Entry DOI: 10.7270/Q2R78CCC
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM698
PNG
((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hyd...)
Show SMILES O[C@H]([C@@H](O)[C@@H](Sc1ccccn1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](Sc1ccccn1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C34H34N4O6S2/c39-23-17-19-9-1-3-11-21(19)27(23)37-33(43)31(45-25-13-5-7-15-35-25)29(41)30(42)32(46-26-14-6-8-16-36-26)34(44)38-28-22-12-4-2-10-20(22)18-24(28)40/h1-16,23-24,27-32,39-42H,17-18H2,(H,37,43)(H,38,44)/t23-,24-,27+,28+,29-,30-,31-,32-/m1/s1
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 285 -38.0n/an/an/an/an/a5.030



Stockholm University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3402-6 (2001)


Article DOI: 10.1021/jm0011169
BindingDB Entry DOI: 10.7270/Q2R78CCC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%