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Articleid 50029699

Compile data set for download or QSAR
Found 32 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)		BDBM50283720
PNG
((S)-N*1*-[(1S,2R)-1-Benzyl-3-((S)-2-tert-butylcarb...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C34H44N6O5/c1-34(2,3)39-33(45)28-15-9-10-18-40(28)21-29(41)26(19-22-11-5-4-6-12-22)37-32(44)27(20-30(35)42)38-31(43)25-17-16-23-13-7-8-14-24(23)36-25/h4-8,11-14,16-17,26-29,41H,9-10,15,18-21H2,1-3H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27-,28-,29+/m0/s1
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n/an/a 10n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50168218
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-m-tolyl...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1cccc(C)c1
Show InChI InChI=1S/C21H20O3S/c1-13(2)16-9-4-5-10-19(16)25-20-17(22)12-18(24-21(20)23)15-8-6-7-14(3)11-15/h4-13,22H,1-3H3
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n/an/a 14n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286998
PNG
(6-(3,5-Dimethyl-phenyl)-4-hydroxy-3-(2-isopropyl-p...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1cc(C)cc(C)c1
Show InChI InChI=1S/C22H22O3S/c1-13(2)17-7-5-6-8-20(17)26-21-18(23)12-19(25-22(21)24)16-10-14(3)9-15(4)11-16/h5-13,23H,1-4H3
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n/an/a 15n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286991
PNG
(6-(3,4-Dichloro-phenyl)-4-hydroxy-3-(2-isopropyl-p...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2O3S/c1-11(2)13-5-3-4-6-18(13)26-19-16(23)10-17(25-20(19)24)12-7-8-14(21)15(22)9-12/h3-11,23H,1-2H3
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n/an/a 22n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286989
PNG
(6-(3-Chloro-phenyl)-4-hydroxy-3-(2-isopropyl-pheny...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H17ClO3S/c1-12(2)15-8-3-4-9-18(15)25-19-16(22)11-17(24-20(19)23)13-6-5-7-14(21)10-13/h3-12,22H,1-2H3
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n/an/a 23n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50287005
PNG
(6-(3,5-Dichloro-phenyl)-4-hydroxy-3-(2-isopropyl-p...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H16Cl2O3S/c1-11(2)15-5-3-4-6-18(15)26-19-16(23)10-17(25-20(19)24)12-7-13(21)9-14(22)8-12/h3-11,23H,1-2H3
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n/an/a 26n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286977
PNG
(4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CCOC(=O)c1ccc(cc1)-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1
Show InChI InChI=1S/C23H22O5S/c1-4-27-22(25)16-11-9-15(10-12-16)19-13-18(24)21(23(26)28-19)29-20-8-6-5-7-17(20)14(2)3/h5-14,24H,4H2,1-3H3
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n/an/a 35n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM2571
PNG
(4-hydroxy-6-phenyl-3-{[2-(propan-2-yl)phenyl]sulfa...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccccc1
Show InChI InChI=1S/C20H18O3S/c1-13(2)15-10-6-7-11-18(15)24-19-16(21)12-17(23-20(19)22)14-8-4-3-5-9-14/h3-13,21H,1-2H3
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n/an/a 37n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286994
PNG
(6-Biphenyl-3-yl-4-hydroxy-3-(2-isopropyl-phenylsul...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C26H22O3S/c1-17(2)21-13-6-7-14-24(21)30-25-22(27)16-23(29-26(25)28)20-12-8-11-19(15-20)18-9-4-3-5-10-18/h3-17,27H,1-2H3
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n/an/a 38n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286993
PNG
(4-Hydroxy-6-(4-hydroxy-phenyl)-3-(2-isopropyl-phen...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18O4S/c1-12(2)15-5-3-4-6-18(15)25-19-16(22)11-17(24-20(19)23)13-7-9-14(21)10-8-13/h3-12,21-22H,1-2H3
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n/an/a 54n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286978
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-p-tolyl...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(C)cc1
Show InChI InChI=1S/C21H20O3S/c1-13(2)16-6-4-5-7-19(16)25-20-17(22)12-18(24-21(20)23)15-10-8-14(3)9-11-15/h4-13,22H,1-3H3
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n/an/a 59n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286982
PNG
(2-Hydroxy-5-[4-hydroxy-5-(2-isopropyl-phenylsulfan...)
Show SMILES COC(=O)c1cc(ccc1O)-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1
Show InChI InChI=1S/C22H20O6S/c1-12(2)14-6-4-5-7-19(14)29-20-17(24)11-18(28-22(20)26)13-8-9-16(23)15(10-13)21(25)27-3/h4-12,23-24H,1-3H3
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n/an/a 62n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286985
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(3-nitr...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H17NO5S/c1-12(2)15-8-3-4-9-18(15)27-19-16(22)11-17(26-20(19)23)13-6-5-7-14(10-13)21(24)25/h3-12,22H,1-2H3
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n/an/a 67n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50287000
PNG
(4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H18O5S/c1-12(2)15-5-3-4-6-18(15)27-19-16(22)11-17(26-21(19)25)13-7-9-14(10-8-13)20(23)24/h3-12,22H,1-2H3,(H,23,24)
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n/an/a 68n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286997
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(3-trif...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3O3S/c1-12(2)15-8-3-4-9-18(15)28-19-16(25)11-17(27-20(19)26)13-6-5-7-14(10-13)21(22,23)24/h3-12,25H,1-2H3
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n/an/a 76n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286999
PNG
(6-(4-Chloro-phenyl)-4-hydroxy-3-(2-isopropyl-pheny...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClO3S/c1-12(2)15-5-3-4-6-18(15)25-19-16(22)11-17(24-20(19)23)13-7-9-14(21)10-8-13/h3-12,22H,1-2H3
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n/an/a 76n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286988
PNG
(3-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES COC(=O)c1cccc(c1)-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1
Show InChI InChI=1S/C22H20O5S/c1-13(2)16-9-4-5-10-19(16)28-20-17(23)12-18(27-22(20)25)14-7-6-8-15(11-14)21(24)26-3/h4-13,23H,1-3H3
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n/an/a 80n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286987
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(4-meth...)
Show SMILES COc1ccc(cc1)-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1
Show InChI InChI=1S/C21H20O4S/c1-13(2)16-6-4-5-7-19(16)26-20-17(22)12-18(25-21(20)23)14-8-10-15(24-3)11-9-14/h4-13,22H,1-3H3
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n/an/a 83n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286996
PNG
(4-Hydroxy-6-(3-hydroxy-phenyl)-3-(2-isopropyl-phen...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1cccc(O)c1
Show InChI InChI=1S/C20H18O4S/c1-12(2)15-8-3-4-9-18(15)25-19-16(22)11-17(24-20(19)23)13-6-5-7-14(21)10-13/h3-12,21-22H,1-2H3
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n/an/a 89n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50287002
PNG
(6-(3-Dimethylamino-phenyl)-4-hydroxy-3-(2-isopropy...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C22H23NO3S/c1-14(2)17-10-5-6-11-20(17)27-21-18(24)13-19(26-22(21)25)15-8-7-9-16(12-15)23(3)4/h5-14,24H,1-4H3
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n/an/a 114n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286981
PNG
(6-(4-Fluoro-phenyl)-4-hydroxy-3-(2-isopropyl-pheny...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17FO3S/c1-12(2)15-5-3-4-6-18(15)25-19-16(22)11-17(24-20(19)23)13-7-9-14(21)10-8-13/h3-12,22H,1-2H3
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n/an/a 124n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50287003
PNG
(4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C21H19NO4S/c1-12(2)15-5-3-4-6-18(15)27-19-16(23)11-17(26-21(19)25)13-7-9-14(10-8-13)20(22)24/h3-12,23H,1-2H3,(H2,22,24)
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n/an/a 135n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286990
PNG
(2-Hydroxy-5-[4-hydroxy-5-(2-isopropyl-phenylsulfan...)
Show SMILES CCOC(=O)c1cc(ccc1O)-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1
Show InChI InChI=1S/C23H22O6S/c1-4-28-22(26)16-11-14(9-10-17(16)24)19-12-18(25)21(23(27)29-19)30-20-8-6-5-7-15(20)13(2)3/h5-13,24-25H,4H2,1-3H3
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n/an/a 148n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286980
PNG
(3-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C21H18O5S/c1-12(2)15-8-3-4-9-18(15)27-19-16(22)11-17(26-21(19)25)13-6-5-7-14(10-13)20(23)24/h3-12,22H,1-2H3,(H,23,24)
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n/an/a 151n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50287001
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(4-nitr...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H17NO5S/c1-12(2)15-5-3-4-6-18(15)27-19-16(22)11-17(26-20(19)23)13-7-9-14(10-8-13)21(24)25/h3-12,22H,1-2H3
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n/an/a 191n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286992
PNG
(4-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H17NO3S/c1-13(2)16-5-3-4-6-19(16)26-20-17(23)11-18(25-21(20)24)15-9-7-14(12-22)8-10-15/h3-11,13,23H,1-2H3
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n/an/a 205n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286983
PNG
(6-(2-Chloro-phenyl)-4-hydroxy-3-(2-isopropyl-pheny...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccccc1Cl
Show InChI InChI=1S/C20H17ClO3S/c1-12(2)13-7-4-6-10-18(13)25-19-16(22)11-17(24-20(19)23)14-8-3-5-9-15(14)21/h3-12,22H,1-2H3
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n/an/a 225n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286984
PNG
(6-(3-Ethyl-phenyl)-4-hydroxy-3-(2-isopropyl-phenyl...)
Show SMILES CCc1cccc(c1)-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1
Show InChI InChI=1S/C22H22O3S/c1-4-15-8-7-9-16(12-15)19-13-18(23)21(22(24)25-19)26-20-11-6-5-10-17(20)14(2)3/h5-14,23H,4H2,1-3H3
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n/an/a 262n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50287004
PNG
(2-Hydroxy-5-[4-hydroxy-5-(2-isopropyl-phenylsulfan...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C21H18O6S/c1-11(2)13-5-3-4-6-18(13)28-19-16(23)10-17(27-21(19)26)12-7-8-15(22)14(9-12)20(24)25/h3-11,22-23H,1-2H3,(H,24,25)
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n/an/a 292n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286979
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-o-tolyl...)
Show SMILES CC(C)c1ccccc1Sc1c(O)cc(oc1=O)-c1ccccc1C
Show InChI InChI=1S/C21H20O3S/c1-13(2)15-9-6-7-11-19(15)25-20-17(22)12-18(24-21(20)23)16-10-5-4-8-14(16)3/h4-13,22H,1-3H3
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n/an/a 1.35E+3n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286986
PNG
(4-Hydroxy-3-(2-isopropyl-phenylsulfanyl)-6-(2-meth...)
Show SMILES COc1ccccc1-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1
Show InChI InChI=1S/C21H20O4S/c1-13(2)14-8-5-7-11-19(14)26-20-16(22)12-18(25-21(20)23)15-9-4-6-10-17(15)24-3/h4-13,22H,1-3H3
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n/an/a 1.42E+3n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50286995
PNG
(3-[4-Hydroxy-5-(2-isopropyl-phenylsulfanyl)-6-oxo-...)
Show SMILES CCOC(=O)c1cccc(c1)-c1cc(O)c(Sc2ccccc2C(C)C)c(=O)o1
Show InChI InChI=1S/C23H22O5S/c1-4-27-22(25)16-9-7-8-15(12-16)19-13-18(24)21(23(26)28-19)29-20-11-6-5-10-17(20)14(2)3/h5-14,24H,4H2,1-3H3
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n/an/a 1.93E+3n/an/an/an/a4.7n/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against purified HIV-1 protease (BH10) at a pH of 4.7 and a final enzyme concentration of 0.45-1.1 nM

Bioorg Med Chem Lett 6: 1099-1104 (1996)


Article DOI: 10.1016/0960-894X(96)00180-1
BindingDB Entry DOI: 10.7270/Q2QV3MGM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%