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Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'miyamoto' and Initial = 's'   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4136
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H33ClF3N3O5/c1-15-19(9-6-10-22(15)36)24(38)33-20(12-16-7-5-8-17(11-16)28(30,31)32)23(37)26(40)35-14-18(29)13-21(35)25(39)34-27(2,3)4/h5-11,18,20-21,23,36-37H,12-14H2,1-4H3,(H,33,38)(H,34,39)/t18-,20-,21-,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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4134
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H33ClF3N3O5/c1-15-19(6-5-7-22(15)36)24(38)33-20(12-16-8-10-17(11-9-16)28(30,31)32)23(37)26(40)35-14-18(29)13-21(35)25(39)34-27(2,3)4/h5-11,18,20-21,23,36-37H,12-14H2,1-4H3,(H,33,38)(H,34,39)/t18-,20-,21-,23-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4126
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1 |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-16-8-6-9-18(12-16)13-21(30-25(35)20-10-7-11-23(33)17(20)2)24(34)27(37)32-15-19(29)14-22(32)26(36)31-28(3,4)5/h6-12,19,21-22,24,33-34H,13-15H2,1-5H3,(H,30,35)(H,31,36)/t19-,21-,22-,24-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4129
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(3-fluo...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H33ClFN3O5/c1-15-19(9-6-10-22(15)33)24(35)30-20(12-16-7-5-8-18(29)11-16)23(34)26(37)32-14-17(28)13-21(32)25(36)31-27(2,3)4/h5-11,17,20-21,23,33-34H,12-14H2,1-4H3,(H,30,35)(H,31,36)/t17-,20-,21-,23-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4130
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(2-fluo...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H33ClFN3O5/c1-15-18(9-7-11-22(15)33)24(35)30-20(12-16-8-5-6-10-19(16)29)23(34)26(37)32-14-17(28)13-21(32)25(36)31-27(2,3)4/h5-11,17,20-21,23,33-34H,12-14H2,1-4H3,(H,30,35)(H,31,36)/t17-,20-,21-,23-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4132
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(3,5-di...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H32ClF2N3O5/c1-14-19(6-5-7-22(14)34)24(36)31-20(10-15-8-17(29)12-18(30)9-15)23(35)26(38)33-13-16(28)11-21(33)25(37)32-27(2,3)4/h5-9,12,16,20-21,23,34-35H,10-11,13H2,1-4H3,(H,31,36)(H,32,37)/t16-,20-,21-,23-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(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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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/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4163
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C32H38ClN3O5/c1-18-12-24(19(2)27(37)13-18)29(39)34-25(15-20-10-11-21-8-6-7-9-22(21)14-20)28(38)31(41)36-17-23(33)16-26(36)30(40)35-32(3,4)5/h6-14,23,25-26,28,37-38H,15-17H2,1-5H3,(H,34,39)(H,35,40)/t23-,25-,26-,28-/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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4131
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(3,4-di...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H32ClF2N3O5/c1-14-17(6-5-7-22(14)34)24(36)31-20(11-15-8-9-18(29)19(30)10-15)23(35)26(38)33-13-16(28)12-21(33)25(37)32-27(2,3)4/h5-10,16,20-21,23,34-35H,11-13H2,1-4H3,(H,31,36)(H,32,37)/t16-,20-,21-,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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4135
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES COc1ccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1 |r|
Show InChI InChI=1S/C28H36ClN3O6/c1-16-20(7-6-8-23(16)33)25(35)30-21(13-17-9-11-19(38-5)12-10-17)24(34)27(37)32-15-18(29)14-22(32)26(36)31-28(2,3)4/h6-12,18,21-22,24,33-34H,13-15H2,1-5H3,(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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(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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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4125
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1 |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-16-9-11-18(12-10-16)13-21(30-25(35)20-7-6-8-23(33)17(20)2)24(34)27(37)32-15-19(29)14-22(32)26(36)31-28(3,4)5/h6-12,19,21-22,24,33-34H,13-15H2,1-5H3,(H,30,35)(H,31,36)/t19-,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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(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/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4138
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C33H38ClN3O5/c1-20-25(11-8-12-28(20)38)30(40)35-26(17-21-13-15-23(16-14-21)22-9-6-5-7-10-22)29(39)32(42)37-19-24(34)18-27(37)31(41)36-33(2,3)4/h5-16,24,26-27,29,38-39H,17-19H2,1-4H3,(H,35,40)(H,36,41)/t24-,26-,27-,29-/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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4128
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(4-fluo...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H33ClFN3O5/c1-15-19(6-5-7-22(15)33)24(35)30-20(12-16-8-10-18(29)11-9-16)23(34)26(37)32-14-17(28)13-21(32)25(36)31-27(2,3)4/h5-11,17,20-21,23,33-34H,12-14H2,1-4H3,(H,30,35)(H,31,36)/t17-,20-,21-,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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4142
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C31H36ClN3O5/c1-18-23(10-7-11-26(18)36)28(38)33-24(15-19-12-13-20-8-5-6-9-21(20)14-19)27(37)30(40)35-17-22(32)16-25(35)29(39)34-31(2,3)4/h5-14,22,24-25,27,36-37H,15-17H2,1-4H3,(H,33,38)(H,34,39)/t22-,24-,25-,27-/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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4161
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(3,5-di...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H34ClF2N3O5/c1-14-6-20(15(2)23(35)7-14)25(37)32-21(10-16-8-18(30)12-19(31)9-16)24(36)27(39)34-13-17(29)11-22(34)26(38)33-28(3,4)5/h6-9,12,17,21-22,24,35-36H,10-11,13H2,1-5H3,(H,32,37)(H,33,38)/t17-,21-,22-,24-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4165
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(5-flu...)
Show SMILES Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C31H35ClFN3O5/c1-17-23(14-22(33)15-26(17)37)28(39)34-24(12-18-9-10-19-7-5-6-8-20(19)11-18)27(38)30(41)36-16-21(32)13-25(36)29(40)35-31(2,3)4/h5-11,14-15,21,24-25,27,37-38H,12-13,16H2,1-4H3,(H,34,39)(H,35,40)/t21-,24-,25-,27-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4139
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(3,4-di...)
Show SMILES Cc1ccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1C |r|
Show InChI InChI=1S/C29H38ClN3O5/c1-16-10-11-19(12-17(16)2)13-22(31-26(36)21-8-7-9-24(34)18(21)3)25(35)28(38)33-15-20(30)14-23(33)27(37)32-29(4,5)6/h7-12,20,22-23,25,34-35H,13-15H2,1-6H3,(H,31,36)(H,32,37)/t20-,22-,23-,25-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4154
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(C)cc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1 |r|
Show InChI InChI=1S/C29H38ClN3O5/c1-16-8-7-9-19(10-16)13-22(31-26(36)21-11-17(2)12-24(34)18(21)3)25(35)28(38)33-15-20(30)14-23(33)27(37)32-29(4,5)6/h7-12,20,22-23,25,34-35H,13-15H2,1-6H3,(H,31,36)(H,32,37)/t20-,22-,23-,25-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4144
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=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/c1-16-11-20(17(2)23(33)12-16)25(35)30-21(13-18-9-7-6-8-10-18)24(34)27(37)32-15-19(29)14-22(32)26(36)31-28(3,4)5/h6-12,19,21-22,24,33-34H,13-15H2,1-5H3,(H,30,35)(H,31,36)/t19-,21-,22-,24-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4160
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C34H40ClN3O5/c1-20-15-26(21(2)29(39)16-20)31(41)36-27(17-22-11-13-24(14-12-22)23-9-7-6-8-10-23)30(40)33(43)38-19-25(35)18-28(38)32(42)37-34(3,4)5/h6-16,25,27-28,30,39-40H,17-19H2,1-5H3,(H,36,41)(H,37,42)/t25-,27-,28-,30-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4137
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(O)cc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H34ClN3O6/c1-15-19(6-5-7-22(15)33)24(35)29-20(12-16-8-10-18(32)11-9-16)23(34)26(37)31-14-17(28)13-21(31)25(36)30-27(2,3)4/h5-11,17,20-21,23,32-34H,12-14H2,1-4H3,(H,29,35)(H,30,36)/t17-,20-,21-,23-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4140
PNG
((2S,4S)-1-[(2S,3S)-4-(1-benzothiophen-5-yl)-2-hydr...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc2sccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H34ClN3O5S/c1-16-20(6-5-7-23(16)34)26(36)31-21(13-17-8-9-24-18(12-17)10-11-39-24)25(35)28(38)33-15-19(30)14-22(33)27(37)32-29(2,3)4/h5-12,19,21-22,25,34-35H,13-15H2,1-4H3,(H,31,36)(H,32,37)/t19-,21-,22-,25-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4123
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](CCc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-17-20(11-8-12-23(17)33)25(35)30-21(14-13-18-9-6-5-7-10-18)24(34)27(37)32-16-19(29)15-22(32)26(36)31-28(2,3)4/h5-12,19,21-22,24,33-34H,13-16H2,1-4H3,(H,30,35)(H,31,36)/t19-,21-,22-,24-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4166
PNG
((2S,4S)-1-[(2S,3S)-4-(1-benzothiophen-5-yl)-2-hydr...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1ccc2sccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-16-10-21(17(2)24(35)11-16)27(37)32-22(13-18-6-7-25-19(12-18)8-9-40-25)26(36)29(39)34-15-20(31)14-23(34)28(38)33-30(3,4)5/h6-12,20,22-23,26,35-36H,13-15H2,1-5H3,(H,32,37)(H,33,38)/t20-,22-,23-,26-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(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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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/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4141
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc2ccccc12)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C31H36ClN3O5/c1-18-22(13-8-14-26(18)36)28(38)33-24(15-20-11-7-10-19-9-5-6-12-23(19)20)27(37)30(40)35-17-21(32)16-25(35)29(39)34-31(2,3)4/h5-14,21,24-25,27,36-37H,15-17H2,1-4H3,(H,33,38)(H,34,39)/t21-,24-,25-,27-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4133
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(2,4-di...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(F)cc1F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H32ClF2N3O5/c1-14-18(6-5-7-22(14)34)24(36)31-20(10-15-8-9-17(29)12-19(15)30)23(35)26(38)33-13-16(28)11-21(33)25(37)32-27(2,3)4/h5-9,12,16,20-21,23,34-35H,10-11,13H2,1-4H3,(H,31,36)(H,32,37)/t16-,20-,21-,23-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(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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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/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4145
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(5-flu...)
Show SMILES Cc1c(O)cc(F)cc1C(=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/C27H33ClFN3O5/c1-15-19(12-18(29)13-22(15)33)24(35)30-20(10-16-8-6-5-7-9-16)23(34)26(37)32-14-17(28)11-21(32)25(36)31-27(2,3)4/h5-9,12-13,17,20-21,23,33-34H,10-11,14H2,1-4H3,(H,30,35)(H,31,36)/t17-,20-,21-,23-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4167
PNG
((2S,4S)-1-[(2S,3S)-4-(1-benzothiophen-5-yl)-3-[(5-...)
Show SMILES Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccc2sccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H33ClFN3O5S/c1-15-20(12-19(31)13-23(15)35)26(37)32-21(10-16-5-6-24-17(9-16)7-8-40-24)25(36)28(39)34-14-18(30)11-22(34)27(38)33-29(2,3)4/h5-9,12-13,18,21-22,25,35-36H,10-11,14H2,1-4H3,(H,32,37)(H,33,38)/t18-,21-,22-,25-/m0/s1
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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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4148
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H35ClF3N3O5/c1-15-9-20(16(2)23(37)10-15)25(39)34-21(12-17-7-6-8-18(11-17)29(31,32)33)24(38)27(41)36-14-19(30)13-22(36)26(40)35-28(3,4)5/h6-11,19,21-22,24,37-38H,12-14H2,1-5H3,(H,34,39)(H,35,40)/t19-,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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4149
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(5-flu...)
Show SMILES Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H32ClF4N3O5/c1-14-19(11-18(30)12-22(14)37)24(39)34-20(9-15-6-5-7-16(8-15)28(31,32)33)23(38)26(41)36-13-17(29)10-21(36)25(40)35-27(2,3)4/h5-8,11-12,17,20-21,23,37-38H,9-10,13H2,1-4H3,(H,34,39)(H,35,40)/t17-,20-,21-,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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4153
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(C)c(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1 |r|
Show InChI InChI=1S/C29H38ClN3O5/c1-16-8-7-9-19(12-16)13-22(31-26(36)21-11-10-17(2)24(34)18(21)3)25(35)28(38)33-15-20(30)14-23(33)27(37)32-29(4,5)6/h7-12,20,22-23,25,34-35H,13-15H2,1-6H3,(H,31,36)(H,32,37)/t20-,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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(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/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4164
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccc(O)c(C)c1C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C32H38ClN3O5/c1-18-10-13-26(37)19(2)27(18)30(40)34-24(15-20-11-12-21-8-6-7-9-22(21)14-20)28(38)31(41)36-17-23(33)16-25(36)29(39)35-32(3,4)5/h6-14,23-25,28,37-38H,15-17H2,1-5H3,(H,34,40)(H,35,39)/t23-,24-,25-,28-/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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50024714
PNG
(2-(4-Carboxymethyl-5-oxo-3-thiophen-2-yl-[1,4]thia...)
Show SMILES OC(=O)CN1C(CSC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1cccs1
Show InChI InChI=1S/C21H24N2O5S2/c24-19(25)11-23-17(18-7-4-10-30-18)13-29-12-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-17,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,17?/m0/s1
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung Angiotensin I converting enzyme with 5 mM hippurylhistidylleucine as substrate


J Med Chem 30: 1984-91 (1987)


BindingDB Entry DOI: 10.7270/Q2Q52NMJ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50023299
PNG
(2-(1-Carboxymethyl-2-oxo-6-phenyl-azepan-3-ylamino...)
Show SMILES OC(=O)CN1C[C@H](CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C24H28N2O5/c27-22(28)16-26-15-19(18-9-5-2-6-10-18)12-14-20(23(26)29)25-21(24(30)31)13-11-17-7-3-1-4-8-17/h1-10,19-21,25H,11-16H2,(H,27,28)(H,30,31)/t19-,20-,21-/m0/s1
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate


J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4162
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c(C)c1O |r|
Show InChI InChI=1S/C32H38ClN3O5/c1-18-10-13-24(19(2)27(18)37)29(39)34-25(15-20-11-12-21-8-6-7-9-22(21)14-20)28(38)31(41)36-17-23(33)16-26(36)30(40)35-32(3,4)5/h6-14,23,25-26,28,37-38H,15-17H2,1-5H3,(H,34,39)(H,35,40)/t23-,25-,26-,28-/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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4155
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2c(C)ccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1 |r|
Show InChI InChI=1S/C29H38ClN3O5/c1-16-8-7-9-19(12-16)13-21(31-27(37)24-17(2)10-11-23(34)18(24)3)25(35)28(38)33-15-20(30)14-22(33)26(36)32-29(4,5)6/h7-12,20-22,25,34-35H,13-15H2,1-6H3,(H,31,37)(H,32,36)/t20-,21-,22-,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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50023298
PNG
(2-(4-Carboxymethyl-5-oxo-3-phenyl-[1,4]thiazepan-6...)
Show SMILES OC(=O)CN1[C@@H](CSC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C23H26N2O5S/c26-21(27)13-25-20(17-9-5-2-6-10-17)15-31-14-19(22(25)28)24-18(23(29)30)12-11-16-7-3-1-4-8-16/h1-10,18-20,24H,11-15H2,(H,26,27)(H,29,30)/t18-,19-,20-/m0/s1
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate


J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50023298
PNG
(2-(4-Carboxymethyl-5-oxo-3-phenyl-[1,4]thiazepan-6...)
Show SMILES OC(=O)CN1[C@@H](CSC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C23H26N2O5S/c26-21(27)13-25-20(17-9-5-2-6-10-17)15-31-14-19(22(25)28)24-18(23(29)30)12-11-16-7-3-1-4-8-16/h1-10,18-20,24H,11-15H2,(H,26,27)(H,29,30)/t18-,19-,20-/m0/s1
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung Angiotensin I converting enzyme with 5 mM hippurylhistidylleucine as substrate


J Med Chem 30: 1984-91 (1987)


BindingDB Entry DOI: 10.7270/Q2Q52NMJ
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4147
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccc(C(=O)N[C@@H](Cc2cccc(c2)C(F)(F)F)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c(C)c1O |r|
Show InChI InChI=1S/C29H35ClF3N3O5/c1-15-9-10-20(16(2)23(15)37)25(39)34-21(12-17-7-6-8-18(11-17)29(31,32)33)24(38)27(41)36-14-19(30)13-22(36)26(40)35-28(3,4)5/h6-11,19,21-22,24,37-38H,12-14H2,1-5H3,(H,34,39)(H,35,40)/t19-,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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM4157
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccc(C[C@H](NC(=O)c2c(C)ccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1 |r|
Show InChI InChI=1S/C29H38ClN3O5/c1-16-7-10-19(11-8-16)13-21(31-27(37)24-17(2)9-12-23(34)18(24)3)25(35)28(38)33-15-20(30)14-22(33)26(36)32-29(4,5)6/h7-12,20-22,25,34-35H,13-15H2,1-6H3,(H,31,37)(H,32,36)/t20-,21-,22-,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 7: 2063-72 (1999)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50024710
PNG
(2-(4-Carboxymethyl-5-oxo-2-thiophen-2-yl-[1,4]thia...)
Show SMILES OC(=O)CN1C[C@H](SC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1cccs1
Show InChI InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung Angiotensin I converting enzyme with 5 mM hippurylhistidylleucine as substrate


J Med Chem 30: 1984-91 (1987)


BindingDB Entry DOI: 10.7270/Q2Q52NMJ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50023296
PNG
(2-(1-Carboxymethyl-2-oxo-7-phenyl-azepan-3-ylamino...)
Show SMILES OC(=O)CN1[C@@H](CCC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C24H28N2O5/c27-22(28)16-26-21(18-10-5-2-6-11-18)13-7-12-19(23(26)29)25-20(24(30)31)15-14-17-8-3-1-4-9-17/h1-6,8-11,19-21,25H,7,12-16H2,(H,27,28)(H,30,31)/t19-,20-,21-/m0/s1
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Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate


J Med Chem 31: 422-8 (1988)


BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
HIV-1 Protease


(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/j.bmcl.2004.10.045
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50023295
PNG
(2-(4-Carboxymethyl-5-oxo-2-phenyl-[1,4]thiazepan-6...)
Show SMILES OC(=O)CN1C[C@H](SC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C23H26N2O5S/c26-21(27)14-25-13-20(17-9-5-2-6-10-17)31-15-19(22(25)28)24-18(23(29)30)12-11-16-7-3-1-4-8-16/h1-10,18-20,24H,11-15H2,(H,26,27)(H,29,30)/t18-,19-,20-/m0/s1
MMDB

KEGG

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PC cid
PC sid
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n/an/a 3.70n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung Angiotensin I converting enzyme with 5 mM hippurylhistidylleucine as substrate


J Med Chem 30: 1984-91 (1987)


BindingDB Entry DOI: 10.7270/Q2Q52NMJ
More data for this
Ligand-Target Pair
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