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PubMed code 9629473

Compile data set for download or QSAR
Found 34 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)		BDBM4124
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H34ClN3O5/c1-16-19(11-8-12-22(16)32)24(34)29-20(13-17-9-6-5-7-10-17)23(33)26(36)31-15-18(28)14-21(31)25(35)30-27(2,3)4/h5-12,18,20-21,23,32-33H,13-15H2,1-4H3,(H,29,34)(H,30,35)/t18-,20-,21-,23-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4265
PNG
((2-Ethyl-3-hydroxy)benzoyl-(2S,3S)-AHPBA-4(S)-Cl-P...)
Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-5-19-20(12-9-13-23(19)33)25(35)30-21(14-17-10-7-6-8-11-17)24(34)27(37)32-16-18(29)15-22(32)26(36)31-28(2,3)4/h6-13,18,21-22,24,33-34H,5,14-16H2,1-4H3,(H,30,35)(H,31,36)/t18-,21-,22-,24-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4264
PNG
((2-Bromo-3-hydroxy)benzoyl-(2S,3S)-AHPBA-4(S)-Cl-P...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1Br |r|
Show InChI InChI=1S/C26H31BrClN3O5/c1-26(2,3)30-24(35)19-13-16(28)14-31(19)25(36)22(33)18(12-15-8-5-4-6-9-15)29-23(34)17-10-7-11-20(32)21(17)27/h4-11,16,18-19,22,32-33H,12-14H2,1-3H3,(H,29,34)(H,30,35)/t16-,18-,19-,22-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4266
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CCCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H38ClN3O5/c1-5-10-20-21(13-9-14-24(20)34)26(36)31-22(15-18-11-7-6-8-12-18)25(35)28(38)33-17-19(30)16-23(33)27(37)32-29(2,3)4/h6-9,11-14,19,22-23,25,34-35H,5,10,15-17H2,1-4H3,(H,31,36)(H,32,37)/t19-,22-,23-,25-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4146
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccc(O)c(C)c1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-16-11-12-22(33)17(2)23(16)26(36)30-20(13-18-9-7-6-8-10-18)24(34)27(37)32-15-19(29)14-21(32)25(35)31-28(3,4)5/h6-12,19-21,24,33-34H,13-15H2,1-5H3,(H,30,36)(H,31,35)/t19-,20-,21-,24-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4256
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(2,6-d...)
Show SMILES Cc1cccc(C)c1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H36ClN3O4/c1-17-10-9-11-18(2)23(17)26(35)30-21(14-19-12-7-6-8-13-19)24(33)27(36)32-16-20(29)15-22(32)25(34)31-28(3,4)5/h6-13,20-22,24,33H,14-16H2,1-5H3,(H,30,35)(H,31,34)/t20-,21-,22-,24-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4245
PNG
((3S)-3,6-dihydro-2H-pyran-3-yl N-[(2S,3S)-4-[(2S,4...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1COCC=C1 |r,c:35|
Show InChI InChI=1S/C25H34ClN3O6/c1-25(2,3)28-22(31)20-13-17(26)14-29(20)23(32)21(30)19(12-16-8-5-4-6-9-16)27-24(33)35-18-10-7-11-34-15-18/h4-10,17-21,30H,11-15H2,1-3H3,(H,27,33)(H,28,31)/t17-,18-,19-,20-,21-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4238
PNG
(AHPBA 6 | [3(R,S)-(Tetrahydrofuranyl)oxy]carbonyl-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCOC1 |r|
Show InChI InChI=1S/C24H34ClN3O6/c1-24(2,3)27-21(30)19-12-16(25)13-28(19)22(31)20(29)18(11-15-7-5-4-6-8-15)26-23(32)34-17-9-10-33-14-17/h4-8,16-20,29H,9-14H2,1-3H3,(H,26,32)(H,27,30)/t16-,17?,18-,19-,20-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4251
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H34ClN3O4/c1-17-10-8-9-13-20(17)24(33)29-21(14-18-11-6-5-7-12-18)23(32)26(35)31-16-19(28)15-22(31)25(34)30-27(2,3)4/h5-13,19,21-23,32H,14-16H2,1-4H3,(H,29,33)(H,30,34)/t19-,21-,22-,23-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4241
PNG
((3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S,4S)-2-(tert-but...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H34ClN3O6/c1-24(2,3)27-21(30)19-12-16(25)13-28(19)22(31)20(29)18(11-15-7-5-4-6-8-15)26-23(32)34-17-9-10-33-14-17/h4-8,16-20,29H,9-14H2,1-3H3,(H,26,32)(H,27,30)/t16-,17-,18-,19-,20-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4268
PNG
((2S,4S)-1-[(2S,3S)-3-[(3-amino-2-methylphenyl)form...)
Show SMILES Cc1c(N)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H35ClN4O4/c1-16-19(11-8-12-20(16)29)24(34)30-21(13-17-9-6-5-7-10-17)23(33)26(36)32-15-18(28)14-22(32)25(35)31-27(2,3)4/h5-12,18,21-23,33H,13-15,29H2,1-4H3,(H,30,34)(H,31,35)/t18-,21-,22-,23-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4263
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(3-flu...)
Show SMILES Cc1c(F)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H33ClFN3O4/c1-16-19(11-8-12-20(16)29)24(34)30-21(13-17-9-6-5-7-10-17)23(33)26(36)32-15-18(28)14-22(32)25(35)31-27(2,3)4/h5-12,18,21-23,33H,13-15H2,1-4H3,(H,30,34)(H,31,35)/t18-,21-,22-,23-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4239
PNG
(AHPBA 8 | [3(R, S) - (Tetrahydrothiophenyl)oxy]car...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCSC1 |r|
Show InChI InChI=1S/C24H34ClN3O5S/c1-24(2,3)27-21(30)19-12-16(25)13-28(19)22(31)20(29)18(11-15-7-5-4-6-8-15)26-23(32)33-17-9-10-34-14-17/h4-8,16-20,29H,9-14H2,1-3H3,(H,26,32)(H,27,30)/t16-,17?,18-,19-,20-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4269
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C30H34ClN3O4/c1-30(2,3)33-28(37)25-17-21(31)18-34(25)29(38)26(35)24(16-19-10-5-4-6-11-19)32-27(36)23-15-9-13-20-12-7-8-14-22(20)23/h4-15,21,24-26,35H,16-18H2,1-3H3,(H,32,36)(H,33,37)/t21-,24-,25-,26-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4260
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C26H32ClN3O5/c1-26(2,3)29-24(34)21-14-18(27)15-30(21)25(35)22(32)20(12-16-8-5-4-6-9-16)28-23(33)17-10-7-11-19(31)13-17/h4-11,13,18,20-22,31-32H,12,14-15H2,1-3H3,(H,28,33)(H,29,34)/t18-,20-,21-,22-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4252
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(2-chl...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C26H31Cl2N3O4/c1-26(2,3)30-24(34)21-14-17(27)15-31(21)25(35)22(32)20(13-16-9-5-4-6-10-16)29-23(33)18-11-7-8-12-19(18)28/h4-12,17,20-22,32H,13-15H2,1-3H3,(H,29,33)(H,30,34)/t17-,20-,21-,22-/m0/s1
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Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4240
PNG
(1,1-dioxo--thiolan-3-yl N-[(2S,3S)-4-[(2S,4S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCS(=O)(=O)C1 |r|
Show InChI InChI=1S/C24H34ClN3O7S/c1-24(2,3)27-21(30)19-12-16(25)13-28(19)22(31)20(29)18(11-15-7-5-4-6-8-15)26-23(32)35-17-9-10-36(33,34)14-17/h4-8,16-20,29H,9-14H2,1-3H3,(H,26,32)(H,27,30)/t16-,17?,18-,19-,20-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4253
PNG
((2S,4S)-1-[(2S,3S)-3-[(2-bromophenyl)formamido]-2-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Br |r|
Show InChI InChI=1S/C26H31BrClN3O4/c1-26(2,3)30-24(34)21-14-17(28)15-31(21)25(35)22(32)20(13-16-9-5-4-6-10-16)29-23(33)18-11-7-8-12-19(18)27/h4-12,17,20-22,32H,13-15H2,1-3H3,(H,29,33)(H,30,34)/t17-,20-,21-,22-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4246
PNG
((3S)-oxan-3-yl N-[(2S,3S)-4-[(2S,4S)-2-(tert-butyl...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCOC1 |r|
Show InChI InChI=1S/C25H36ClN3O6/c1-25(2,3)28-22(31)20-13-17(26)14-29(20)23(32)21(30)19(12-16-8-5-4-6-9-16)27-24(33)35-18-10-7-11-34-15-18/h4-6,8-9,17-21,30H,7,10-15H2,1-3H3,(H,27,33)(H,28,31)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4254
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1I |r|
Show InChI InChI=1S/C26H31ClIN3O4/c1-26(2,3)30-24(34)21-14-17(27)15-31(21)25(35)22(32)20(13-16-9-5-4-6-10-16)29-23(33)18-11-7-8-12-19(18)28/h4-12,17,20-22,32H,13-15H2,1-3H3,(H,29,33)(H,30,34)/t17-,20-,21-,22-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4237
PNG
(3-Benzyloxy-2-n-propylbenzaldehyde | AHPBA 2 | cyc...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r|
Show InChI InChI=1S/C25H36ClN3O5/c1-25(2,3)28-22(31)20-14-17(26)15-29(20)23(32)21(30)19(13-16-9-5-4-6-10-16)27-24(33)34-18-11-7-8-12-18/h4-6,9-10,17-21,30H,7-8,11-15H2,1-3H3,(H,27,33)(H,28,31)/t17-,19-,20-,21-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4262
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(3-flu...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C26H31ClFN3O4/c1-26(2,3)30-24(34)21-14-18(27)15-31(21)25(35)22(32)20(12-16-8-5-4-6-9-16)29-23(33)17-10-7-11-19(28)13-17/h4-11,13,18,20-22,32H,12,14-15H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21-,22-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4242
PNG
((1,4:3,6-Dianhydro-D-sorbitol)carbonyl-(2S,3S)-AHP...)
Show SMILES [H][C@]12OC[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(=O)N3C[C@@H](Cl)C[C@H]3C(=O)NC(C)(C)C)[C@@]1([H])OC[C@H]2O |r|
Show InChI InChI=1S/C26H36ClN3O8/c1-26(2,3)29-23(33)17-10-15(27)11-30(17)24(34)20(32)16(9-14-7-5-4-6-8-14)28-25(35)38-19-13-37-21-18(31)12-36-22(19)21/h4-8,15-22,31-32H,9-13H2,1-3H3,(H,28,35)(H,29,33)/t15-,16-,17-,18+,19+,20-,21+,22+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4250
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H32ClN3O4/c1-26(2,3)29-24(33)21-15-19(27)16-30(21)25(34)22(31)20(14-17-10-6-4-7-11-17)28-23(32)18-12-8-5-9-13-18/h4-13,19-22,31H,14-16H2,1-3H3,(H,28,32)(H,29,33)/t19-,20-,21-,22-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4255
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CCCc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H38ClN3O4/c1-5-11-20-14-9-10-15-22(20)26(35)31-23(16-19-12-7-6-8-13-19)25(34)28(37)33-18-21(30)17-24(33)27(36)32-29(2,3)4/h6-10,12-15,21,23-25,34H,5,11,16-18H2,1-4H3,(H,31,35)(H,32,36)/t21-,23-,24-,25-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4244
PNG
((2R,3S)-2-methoxy-3,6-dihydro-2H-pyran-3-yl N-[(2S...)
Show SMILES CO[C@@H]1OCC=C[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r,c:5|
Show InChI InChI=1S/C26H36ClN3O7/c1-26(2,3)29-22(32)19-14-17(27)15-30(19)23(33)21(31)18(13-16-9-6-5-7-10-16)28-25(34)37-20-11-8-12-36-24(20)35-4/h5-11,17-21,24,31H,12-15H2,1-4H3,(H,28,34)(H,29,32)/t17-,18-,19-,20-,21-,24+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4261
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H32ClN3O5/c1-26(2,3)29-24(34)21-14-18(27)15-30(21)25(35)22(32)20(13-16-7-5-4-6-8-16)28-23(33)17-9-11-19(31)12-10-17/h4-12,18,20-22,31-32H,13-15H2,1-3H3,(H,28,33)(H,29,34)/t18-,20-,21-,22-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4243
PNG
((2S,3R)-2-methoxy-3,6-dihydro-2H-pyran-3-yl N-[(2S...)
Show SMILES CO[C@H]1OCC=C[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r,c:5|
Show InChI InChI=1S/C26H36ClN3O7/c1-26(2,3)29-22(32)19-14-17(27)15-30(19)23(33)21(31)18(13-16-9-6-5-7-10-16)28-25(34)37-20-11-8-12-36-24(20)35-4/h5-11,17-21,24,31H,12-15H2,1-4H3,(H,28,34)(H,29,32)/t17-,18-,19-,20+,21-,24-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4248
PNG
((2R,3S)-2-methoxyoxan-3-yl N-[(2S,3S)-4-[(2S,4S)-2...)
Show SMILES CO[C@@H]1OCCC[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C26H38ClN3O7/c1-26(2,3)29-22(32)19-14-17(27)15-30(19)23(33)21(31)18(13-16-9-6-5-7-10-16)28-25(34)37-20-11-8-12-36-24(20)35-4/h5-7,9-10,17-21,24,31H,8,11-15H2,1-4H3,(H,28,34)(H,29,32)/t17-,18-,19-,20-,21-,24+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4259
PNG
((2S,4S)-1-[(2S,3S)-3-[(2-aminophenyl)formamido]-2-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N |r|
Show InChI InChI=1S/C26H33ClN4O4/c1-26(2,3)30-24(34)21-14-17(27)15-31(21)25(35)22(32)20(13-16-9-5-4-6-10-16)29-23(33)18-11-7-8-12-19(18)28/h4-12,17,20-22,32H,13-15,28H2,1-3H3,(H,29,33)(H,30,34)/t17-,20-,21-,22-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4270
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C30H34ClN3O4/c1-30(2,3)33-28(37)25-17-23(31)18-34(25)29(38)26(35)24(15-19-9-5-4-6-10-19)32-27(36)22-14-13-20-11-7-8-12-21(20)16-22/h4-14,16,23-26,35H,15,17-18H2,1-3H3,(H,32,36)(H,33,37)/t23-,24-,25-,26-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4247
PNG
((3aR,6R,7S,7aR)-2,6-dimethoxy-hexahydro-[1,3]dioxo...)
Show SMILES COC1O[C@@H]2CO[C@@H](OC)[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(=O)N3C[C@@H](Cl)C[C@H]3C(=O)NC(C)(C)C)[C@@H]2O1 |r|
Show InChI InChI=1S/C28H40ClN3O10/c1-28(2,3)31-23(34)18-12-16(29)13-32(18)24(35)20(33)17(11-15-9-7-6-8-10-15)30-26(36)41-22-21-19(14-39-25(22)37-4)40-27(38-5)42-21/h6-10,16-22,25,27,33H,11-14H2,1-5H3,(H,30,36)(H,31,34)/t16-,17-,18-,19+,20-,21+,22-,25+,27?/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4258
PNG
((2-Hydroxy-3-methoxy)benzoyl- (2S,3S) -AHPBA-4(S)-...)
Show SMILES COc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1O |r|
Show InChI InChI=1S/C27H34ClN3O6/c1-27(2,3)30-25(35)20-14-17(28)15-31(20)26(36)23(33)19(13-16-9-6-5-7-10-16)29-24(34)18-11-8-12-21(37-4)22(18)32/h5-12,17,19-20,23,32-33H,13-15H2,1-4H3,(H,29,34)(H,30,35)/t17-,19-,20-,23-/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a>1.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4257
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1O |r|
Show InChI InChI=1S/C26H32ClN3O5/c1-26(2,3)29-24(34)20-14-17(27)15-30(20)25(35)22(32)19(13-16-9-5-4-6-10-16)28-23(33)18-11-7-8-12-21(18)31/h4-12,17,19-20,22,31-32H,13-15H2,1-3H3,(H,28,33)(H,29,34)/t17-,19-,20-,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%