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Articleid 50029311

Compile data set for download or QSAR
Found 23 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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283284
PNG
(CHEMBL75310 | {(1S,2R)-1-Benzyl-3-[2-((R)-tert-but...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccc(C)nc2)C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H51N5O6S/c1-23(2)31-30(14-17-46(31,43)44)45-33(42)36-27(18-25-10-8-7-9-11-25)29(40)22-39-16-15-38(20-26-13-12-24(3)35-19-26)21-28(39)32(41)37-34(4,5)6/h7-13,19,23,27-31,40H,14-18,20-22H2,1-6H3,(H,36,42)(H,37,41)/t27-,28-,29+,30+,31+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283285
PNG
(CHEMBL75833 | {(1S,2R)-1-Benzyl-3-[2-((R)-tert-but...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H49N5O6S/c1-23(2)30-29(13-17-45(30,42)43)44-32(41)35-26(18-24-10-7-6-8-11-24)28(39)22-38-16-15-37(20-25-12-9-14-34-19-25)21-27(38)31(40)36-33(3,4)5/h6-12,14,19,23,26-30,39H,13,15-18,20-22H2,1-5H3,(H,35,41)(H,36,40)/t26-,27-,28+,29+,30+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283295
PNG
((S)-3-tert-Butylcarbamoyl-4-{(2R,3S)-2-hydroxy-4-p...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H44N4O7/c1-32(2,3)34-29(38)27-19-36(31(40)42-21-24-12-8-5-9-13-24)16-15-35(27)20-28(37)26(18-23-10-6-4-7-11-23)33-30(39)43-25-14-17-41-22-25/h4-13,25-28,37H,14-22H2,1-3H3,(H,33,39)(H,34,38)/t25-,26-,27-,28+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283286
PNG
(CHEMBL310485 | {(1S,2R)-1-Benzyl-3-[2-((R)-tert-bu...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccc3ccccc3c2)C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C38H52N4O6S/c1-26(2)35-34(17-20-49(35,46)47)48-37(45)39-31(22-27-11-7-6-8-12-27)33(43)25-42-19-18-41(24-32(42)36(44)40-38(3,4)5)23-28-15-16-29-13-9-10-14-30(29)21-28/h6-16,21,26,31-35,43H,17-20,22-25H2,1-5H3,(H,39,45)(H,40,44)/t31-,32-,33+,34+,35+/m0/s1
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283282
PNG
(CHEMBL55586 | L-738872 | {(1S,2R)-1-Benzyl-3-[(S)-...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cc(C)nc(Cl)c2)C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H50ClN5O6S/c1-22(2)31-29(12-15-47(31,44)45)46-33(43)37-26(17-24-10-8-7-9-11-24)28(41)21-40-14-13-39(19-25-16-23(3)36-30(35)18-25)20-27(40)32(42)38-34(4,5)6/h7-11,16,18,22,26-29,31,41H,12-15,17,19-21H2,1-6H3,(H,37,43)(H,38,42)/t26-,27-,28+,29+,31+/m0/s1
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n/an/a 54n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283293
PNG
(CHEMBL308845 | {(1S,2R)-1-Benzyl-3-[2-((R)-tert-bu...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H48Cl2N4O6S/c1-22(2)31-30(11-14-47(31,44)45)46-33(43)37-27(17-23-9-7-6-8-10-23)29(41)21-40-13-12-39(19-24-15-25(35)18-26(36)16-24)20-28(40)32(42)38-34(3,4)5/h6-10,15-16,18,22,27-31,41H,11-14,17,19-21H2,1-5H3,(H,37,43)(H,38,42)/t27-,28-,29+,30+,31+/m0/s1
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n/an/a 69n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283292
PNG
(CHEMBL76338 | {(1S,2R)-1-Benzyl-3-[2-((R)-tert-but...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cc(C)cc(C)c2)C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C36H54N4O6S/c1-24(2)33-32(13-16-47(33,44)45)46-35(43)37-29(20-27-11-9-8-10-12-27)31(41)23-40-15-14-39(21-28-18-25(3)17-26(4)19-28)22-30(40)34(42)38-36(5,6)7/h8-12,17-19,24,29-33,41H,13-16,20-23H2,1-7H3,(H,37,43)(H,38,42)/t29-,30-,31+,32+,33+/m0/s1
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n/an/a 78n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283283
PNG
(CHEMBL74629 | [(1S,2R)-1-Benzyl-3-(4-benzyl-2-tert...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C31H44N4O5/c1-31(2,3)33-29(37)27-20-34(19-24-12-8-5-9-13-24)15-16-35(27)21-28(36)26(18-23-10-6-4-7-11-23)32-30(38)40-25-14-17-39-22-25/h4-13,25-28,36H,14-22H2,1-3H3,(H,32,38)(H,33,37)/t25-,26-,27-,28+/m0/s1
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n/an/a 102n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283294
PNG
(CHEMBL74862 | {(1S,2R)-1-Benzyl-3-[2-tert-butylcar...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2O)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C31H44N4O6/c1-31(2,3)33-29(38)26-19-34(18-23-11-7-8-12-27(23)36)14-15-35(26)20-28(37)25(17-22-9-5-4-6-10-22)32-30(39)41-24-13-16-40-21-24/h4-12,24-26,28,36-37H,13-21H2,1-3H3,(H,32,39)(H,33,38)/t24-,25-,26-,28+/m0/s1
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n/an/a 102n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283296
PNG
(CHEMBL309582 | {(1S,2R)-1-Benzyl-3-[2-((R)-tert-bu...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cccc(O)c2)C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C34H50N4O7S/c1-23(2)31-30(14-17-46(31,43)44)45-33(42)35-27(19-24-10-7-6-8-11-24)29(40)22-38-16-15-37(20-25-12-9-13-26(39)18-25)21-28(38)32(41)36-34(3,4)5/h6-13,18,23,27-31,39-40H,14-17,19-22H2,1-5H3,(H,35,42)(H,36,41)/t27-,28-,29+,30+,31+/m0/s1
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n/an/a 127n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283288
PNG
(CHEMBL72487 | [(1S,2R)-1-Benzyl-3-((S)-2-tert-buty...)
Show SMILES CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccncc2)C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C33H49N5O6S/c1-23(2)30-29(13-18-45(30,42)43)44-32(41)35-26(19-24-9-7-6-8-10-24)28(39)22-38-17-16-37(20-25-11-14-34-15-12-25)21-27(38)31(40)36-33(3,4)5/h6-12,14-15,23,26-30,39H,13,16-22H2,1-5H3,(H,35,41)(H,36,40)/t26-,27-,28+,29+,30+/m0/s1
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n/an/a 129n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283297
PNG
(CHEMBL308837 | {(1S,2R)-1-Benzyl-3-[2-tert-butylca...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)C(=O)c1ccncc1
Show InChI InChI=1S/C30H41N5O6/c1-30(2,3)33-27(37)25-18-35(28(38)22-9-12-31-13-10-22)15-14-34(25)19-26(36)24(17-21-7-5-4-6-8-21)32-29(39)41-23-11-16-40-20-23/h4-10,12-13,23-26,36H,11,14-20H2,1-3H3,(H,32,39)(H,33,37)/t23-,24-,25-,26+/m0/s1
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n/an/a 132n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283276
PNG
(CHEMBL74699 | {(1S,2R)-1-Benzyl-3-[2-tert-butylcar...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccc(O)cc2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C31H44N4O6/c1-31(2,3)33-29(38)27-19-34(18-23-9-11-24(36)12-10-23)14-15-35(27)20-28(37)26(17-22-7-5-4-6-8-22)32-30(39)41-25-13-16-40-21-25/h4-12,25-28,36-37H,13-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+/m0/s1
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n/an/a 153n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283290
PNG
(CHEMBL72784 | {(1S,2R)-1-Benzyl-3-[2-tert-butylcar...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCCc2ccccc2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C33H48N4O5/c1-33(2,3)35-31(39)29-22-36(17-10-15-25-11-6-4-7-12-25)18-19-37(29)23-30(38)28(21-26-13-8-5-9-14-26)34-32(40)42-27-16-20-41-24-27/h4-9,11-14,27-30,38H,10,15-24H2,1-3H3,(H,34,40)(H,35,39)/t27-,28-,29-,30+/m0/s1
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n/an/a 175n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283291
PNG
(CHEMBL76460 | {(1S,2R)-1-Benzyl-3-[2-tert-butylcar...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)C(=O)c1ccccn1
Show InChI InChI=1S/C30H41N5O6/c1-30(2,3)33-27(37)25-18-35(28(38)23-11-7-8-13-31-23)15-14-34(25)19-26(36)24(17-21-9-5-4-6-10-21)32-29(39)41-22-12-16-40-20-22/h4-11,13,22,24-26,36H,12,14-20H2,1-3H3,(H,32,39)(H,33,37)/t22-,24-,25-,26+/m0/s1
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n/an/a 257n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283279
PNG
(CHEMBL308574 | [(1S,2R)-1-Benzyl-3-(2-tert-butylca...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccncc2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C30H43N5O5/c1-30(2,3)33-28(37)26-19-34(18-23-9-12-31-13-10-23)14-15-35(26)20-27(36)25(17-22-7-5-4-6-8-22)32-29(38)40-24-11-16-39-21-24/h4-10,12-13,24-27,36H,11,14-21H2,1-3H3,(H,32,38)(H,33,37)/t24-,25-,26-,27+/m0/s1
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n/an/a 293n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283298
PNG
(CHEMBL308771 | {(1S,2R)-1-Benzyl-3-[2-tert-butylca...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)C(=O)c1cccnc1
Show InChI InChI=1S/C30H41N5O6/c1-30(2,3)33-27(37)25-18-35(28(38)22-10-7-12-31-17-22)14-13-34(25)19-26(36)24(16-21-8-5-4-6-9-21)32-29(39)41-23-11-15-40-20-23/h4-10,12,17,23-26,36H,11,13-16,18-20H2,1-3H3,(H,32,39)(H,33,37)/t23-,24-,25-,26+/m0/s1
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n/an/a 371n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283277
PNG
(CHEMBL73723 | [(1S,2R)-3-(4-Benzoyl-2-tert-butylca...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)C(=O)c1ccccc1
Show InChI InChI=1S/C31H42N4O6/c1-31(2,3)33-28(37)26-19-35(29(38)23-12-8-5-9-13-23)16-15-34(26)20-27(36)25(18-22-10-6-4-7-11-22)32-30(39)41-24-14-17-40-21-24/h4-13,24-27,36H,14-21H2,1-3H3,(H,32,39)(H,33,37)/t24-,25-,26-,27+/m0/s1
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n/an/a 414n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283281
PNG
(CHEMBL73662 | [(1S,2R)-1-Benzyl-3-(2-tert-butylcar...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCc2ccccc2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C32H46N4O5/c1-32(2,3)34-30(38)28-21-35(16-14-24-10-6-4-7-11-24)17-18-36(28)22-29(37)27(20-25-12-8-5-9-13-25)33-31(39)41-26-15-19-40-23-26/h4-13,26-29,37H,14-23H2,1-3H3,(H,33,39)(H,34,38)/t26-,27-,28-,29+/m0/s1
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n/an/a 478n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283280
PNG
(CHEMBL75270 | {(1S,2R)-1-Benzyl-3-[2-tert-butylcar...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccc(O)c2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C31H44N4O6/c1-31(2,3)33-29(38)27-19-34(18-23-10-7-11-24(36)16-23)13-14-35(27)20-28(37)26(17-22-8-5-4-6-9-22)32-30(39)41-25-12-15-40-21-25/h4-11,16,25-28,36-37H,12-15,17-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+/m0/s1
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n/an/a 482n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283278
PNG
(CHEMBL420379 | [(1S,2R)-1-Benzyl-3-(2-tert-butylca...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C30H43N5O5/c1-30(2,3)33-28(37)26-19-34(18-23-10-7-12-31-17-23)13-14-35(26)20-27(36)25(16-22-8-5-4-6-9-22)32-29(38)40-24-11-15-39-21-24/h4-10,12,17,24-27,36H,11,13-16,18-21H2,1-3H3,(H,32,38)(H,33,37)/t24-,25-,26-,27+/m0/s1
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n/an/a 676n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283289
PNG
(CHEMBL73804 | [(1S,2R)-1-Benzyl-3-(2-tert-butylcar...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccn2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
Show InChI InChI=1S/C30H43N5O5/c1-30(2,3)33-28(37)26-19-34(18-23-11-7-8-13-31-23)14-15-35(26)20-27(36)25(17-22-9-5-4-6-10-22)32-29(38)40-24-12-16-39-21-24/h4-11,13,24-27,36H,12,14-21H2,1-3H3,(H,32,38)(H,33,37)/t24-,25-,26-,27+/m0/s1
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n/an/a 957n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50283287
PNG
((S)-3-tert-Butylcarbamoyl-4-{(2S,3S)-2-hydroxy-4-p...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C32H44N4O7/c1-32(2,3)34-29(38)27-19-36(31(40)42-21-24-12-8-5-9-13-24)16-15-35(27)20-28(37)26(18-23-10-6-4-7-11-23)33-30(39)43-25-14-17-41-22-25/h4-13,25-28,37H,14-22H2,1-3H3,(H,33,39)(H,34,38)/t25-,26-,27-,28-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against HIV-1 protease was evaluated

Bioorg Med Chem Lett 4: 2273-2278 (1994)


Article DOI: 10.1016/0960-894X(94)85024-0
BindingDB Entry DOI: 10.7270/Q25D8RSR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%