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Articleid 50029887

Compile data set for download or QSAR
Found 25 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)		BDBM50289065
PNG
(5-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCCC(O)=O)(OC1=O)c1ccccc1
Show InChI InChI=1S/C25H28O5S/c1-17(2)19-12-6-7-13-21(19)31-23-20(26)16-25(30-24(23)29,15-9-8-14-22(27)28)18-10-4-3-5-11-18/h3-7,10-13,17,23H,8-9,14-16H2,1-2H3,(H,27,28)
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n/an/a 1.80n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289067
PNG
(5-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCCC(=O)NCc2ccccc2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C32H35NO4S/c1-23(2)26-17-9-10-18-28(26)38-30-27(34)21-32(37-31(30)36,25-15-7-4-8-16-25)20-12-11-19-29(35)33-22-24-13-5-3-6-14-24/h3-10,13-18,23,30H,11-12,19-22H2,1-2H3,(H,33,35)
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n/an/a 26n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289063
PNG
(5-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCCC(=O)NCCc2ccccc2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C33H37NO4S/c1-24(2)27-17-9-10-18-29(27)39-31-28(35)23-33(38-32(31)37,26-15-7-4-8-16-26)21-12-11-19-30(36)34-22-20-25-13-5-3-6-14-25/h3-10,13-18,24,31H,11-12,19-23H2,1-2H3,(H,34,36)
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n/an/a 71n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289062
PNG
(CHEMBL159602 | N-Benzyl-4-[4-hydroxy-5-(2-isopropy...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(=O)NCc2ccccc2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C31H33NO4S/c1-22(2)25-16-9-10-17-27(25)37-29-26(33)20-31(36-30(29)35,24-14-7-4-8-15-24)19-11-18-28(34)32-21-23-12-5-3-6-13-23/h3-10,12-17,22,29H,11,18-21H2,1-2H3,(H,32,34)
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n/an/a 81n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289060
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-pentyl-...)
Show SMILES CCCCCC1(CC(=O)C(Sc2ccccc2C(C)C)C(=O)O1)c1ccccc1
Show InChI InChI=1S/C25H30O3S/c1-4-5-11-16-25(19-12-7-6-8-13-19)17-21(26)23(24(27)28-25)29-22-15-10-9-14-20(22)18(2)3/h6-10,12-15,18,23H,4-5,11,16-17H2,1-3H3
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n/an/a 88n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289059
PNG
(5-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCCC(=O)Nc2ccccc2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C31H33NO4S/c1-22(2)25-17-9-10-18-27(25)37-29-26(33)21-31(36-30(29)35,23-13-5-3-6-14-23)20-12-11-19-28(34)32-24-15-7-4-8-16-24/h3-10,13-18,22,29H,11-12,19-21H2,1-2H3,(H,32,34)
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n/an/a 91n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289069
PNG
(5-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCCC(N)=O)(OC1=O)c1ccccc1
Show InChI InChI=1S/C25H29NO4S/c1-17(2)19-12-6-7-13-21(19)31-23-20(27)16-25(30-24(23)29,15-9-8-14-22(26)28)18-10-4-3-5-11-18/h3-7,10-13,17,23H,8-9,14-16H2,1-2H3,(H2,26,28)
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n/an/a 92n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289079
PNG
(4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(N)=O)(OC1=O)c1ccccc1
Show InChI InChI=1S/C24H27NO4S/c1-16(2)18-11-6-7-12-20(18)30-22-19(26)15-24(29-23(22)28,14-8-13-21(25)27)17-9-4-3-5-10-17/h3-7,9-12,16,22H,8,13-15H2,1-2H3,(H2,25,27)
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n/an/a 101n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289078
PNG
(4-{4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-o...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)(OC1=O)c1ccccc1
Show InChI InChI=1S/C33H42N2O6S/c1-23(2)25-14-9-10-15-27(25)42-29-26(36)22-33(40-30(29)38,24-12-7-6-8-13-24)17-11-16-28(37)34-18-20-35(21-19-34)31(39)41-32(3,4)5/h6-10,12-15,23,29H,11,16-22H2,1-5H3
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n/an/a 124n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289070
PNG
(4-{5-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-o...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)(OC1=O)c1ccccc1
Show InChI InChI=1S/C34H44N2O6S/c1-24(2)26-15-9-10-16-28(26)43-30-27(37)23-34(41-31(30)39,25-13-7-6-8-14-25)18-12-11-17-29(38)35-19-21-36(22-20-35)32(40)42-33(3,4)5/h6-10,13-16,24,30H,11-12,17-23H2,1-5H3
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n/an/a 127n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289073
PNG
(4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(=O)NCCc2ccccc2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C32H35NO4S/c1-23(2)26-16-9-10-17-28(26)38-30-27(34)22-32(37-31(30)36,25-14-7-4-8-15-25)20-11-18-29(35)33-21-19-24-12-5-3-6-13-24/h3-10,12-17,23,30H,11,18-22H2,1-2H3,(H,33,35)
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n/an/a 146n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289058
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(4-morp...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(=O)N2CCOCC2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C28H33NO5S/c1-20(2)22-11-6-7-12-24(22)35-26-23(30)19-28(34-27(26)32,21-9-4-3-5-10-21)14-8-13-25(31)29-15-17-33-18-16-29/h3-7,9-12,20,26H,8,13-19H2,1-2H3
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n/an/a 186n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289074
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(5-morp...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCCC(=O)N2CCOCC2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C29H35NO5S/c1-21(2)23-12-6-7-13-25(23)36-27-24(31)20-29(35-28(27)33,22-10-4-3-5-11-22)15-9-8-14-26(32)30-16-18-34-19-17-30/h3-7,10-13,21,27H,8-9,14-20H2,1-2H3
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n/an/a 195n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289061
PNG
(4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(=O)N(C)CCc2ccccc2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C33H37NO4S/c1-24(2)27-17-10-11-18-29(27)39-31-28(35)23-33(38-32(31)37,26-15-8-5-9-16-26)21-12-19-30(36)34(3)22-20-25-13-6-4-7-14-25/h4-11,13-18,24,31H,12,19-23H2,1-3H3
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n/an/a 216n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289072
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(5-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCCC(=O)N2CCNCC2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C29H36N2O4S/c1-21(2)23-12-6-7-13-25(23)36-27-24(32)20-29(35-28(27)34,22-10-4-3-5-11-22)15-9-8-14-26(33)31-18-16-30-17-19-31/h3-7,10-13,21,27,30H,8-9,14-20H2,1-2H3
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n/an/a 234n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289064
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(4-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(=O)N2CCSCC2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C28H33NO4S2/c1-20(2)22-11-6-7-12-24(22)35-26-23(30)19-28(33-27(26)32,21-9-4-3-5-10-21)14-8-13-25(31)29-15-17-34-18-16-29/h3-7,9-12,20,26H,8,13-19H2,1-2H3
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n/an/a 285n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289057
PNG
(4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(=O)Nc2ccccc2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C30H31NO4S/c1-21(2)24-16-9-10-17-26(24)36-28-25(32)20-30(35-29(28)34,22-12-5-3-6-13-22)19-11-18-27(33)31-23-14-7-4-8-15-23/h3-10,12-17,21,28H,11,18-20H2,1-2H3,(H,31,33)
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n/an/a 429n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289075
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(4-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(=O)N2CCNCC2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C28H34N2O4S/c1-20(2)22-11-6-7-12-24(22)35-26-23(31)19-28(34-27(26)33,21-9-4-3-5-10-21)14-8-13-25(32)30-17-15-29-16-18-30/h3-7,9-12,20,26,29H,8,13-19H2,1-2H3
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n/an/a 564n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289077
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(5-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCCC(=O)N2CCSCC2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C29H35NO4S2/c1-21(2)23-12-6-7-13-25(23)36-27-24(31)20-29(34-28(27)33,22-10-4-3-5-11-22)15-9-8-14-26(32)30-16-18-35-19-17-30/h3-7,10-13,21,27H,8-9,14-20H2,1-2H3
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n/an/a 583n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289066
PNG
(4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(=O)N(C)c2ccccc2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C31H33NO4S/c1-22(2)25-17-10-11-18-27(25)37-29-26(33)21-31(36-30(29)35,23-13-6-4-7-14-23)20-12-19-28(34)32(3)24-15-8-5-9-16-24/h4-11,13-18,22,29H,12,19-21H2,1-3H3
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n/an/a 624n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289068
PNG
(CHEMBL159290 | N-Benzyl-4-[4-hydroxy-5-(2-isopropy...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCCC(=O)N(C)Cc2ccccc2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C32H35NO4S/c1-23(2)26-17-10-11-18-28(26)38-30-27(34)21-32(37-31(30)36,25-15-8-5-9-16-25)20-12-19-29(35)33(3)22-24-13-6-4-7-14-24/h4-11,13-18,23,30H,12,19-22H2,1-3H3
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n/an/a 676n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289056
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(3-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCC(=O)N2CCSCC2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C27H31NO4S2/c1-19(2)21-10-6-7-11-23(21)34-25-22(29)18-27(32-26(25)31,20-8-4-3-5-9-20)13-12-24(30)28-14-16-33-17-15-28/h3-11,19,25H,12-18H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289071
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(3-oxo-...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCC(=O)N2CCNCC2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C27H32N2O4S/c1-19(2)21-10-6-7-11-23(21)34-25-22(30)18-27(33-26(25)32,20-8-4-3-5-9-20)13-12-24(31)29-16-14-28-15-17-29/h3-11,19,25,28H,12-18H2,1-2H3
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n/an/a 1.11E+3n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289080
PNG
(4-{3-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-o...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)(OC1=O)c1ccccc1
Show InChI InChI=1S/C32H40N2O6S/c1-22(2)24-13-9-10-14-26(24)41-28-25(35)21-32(39-29(28)37,23-11-7-6-8-12-23)16-15-27(36)33-17-19-34(20-18-33)30(38)40-31(3,4)5/h6-14,22,28H,15-21H2,1-5H3
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n/an/a 1.27E+3n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50289076
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(3-morp...)
Show SMILES CC(C)c1ccccc1SC1C(=O)CC(CCC(=O)N2CCOCC2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C27H31NO5S/c1-19(2)21-10-6-7-11-23(21)34-25-22(29)18-27(33-26(25)31,20-8-4-3-5-9-20)13-12-24(30)28-14-16-32-17-15-28/h3-11,19,25H,12-18H2,1-2H3
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n/an/a 2.44E+3n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against purified HIV-1 protease at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 719-724 (1996)


Article DOI: 10.1016/0960-894X(96)00099-6
BindingDB Entry DOI: 10.7270/Q2930T5M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%