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Compile Data Set for Download or QSAR

Found 3863 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 protease'   
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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50078088
PNG
((S)-3-(2-tert-Butyl-4-hydroxymethyl-5-methyl-pheny...)
Show SMILES CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1
Show InChI InChI=1S/C28H36O5S/c1-17(2)28(12-11-19-7-9-21(30)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-29)14-22(24)27(4,5)6/h7-10,13-14,17,25,29-30H,11-12,15-16H2,1-6H3/t25?,28-/m0/s1
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0.0900n/an/an/an/an/an/a4.7n/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7


Bioorg Med Chem Lett 9: 2019-24 (1999)


Article DOI: 10.1016/s0960-894x(99)00332-7
BindingDB Entry DOI: 10.7270/Q2PZ5814
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50216785
PNG
(CHEMBL61756)
Show SMILES CC(C)[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2sc3ccccc3c2C(C)(C)C)=C(O)O1
Show InChI InChI=1S/C28H32O4S2/c1-17(2)28(15-14-18-10-12-19(29)13-11-18)16-21(30)24(25(31)32-28)34-26-23(27(3,4)5)20-8-6-7-9-22(20)33-26/h6-13,17,29,31H,14-16H2,1-5H3/t28-/m0/s1
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<0.100n/an/an/an/an/an/a4.7n/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was evaluated against human immunodeficiency virus type 1(HIV-1) protease at pH 6.2


Bioorg Med Chem Lett 9: 2019-24 (1999)


Article DOI: 10.1016/s0960-894x(99)00332-7
BindingDB Entry DOI: 10.7270/Q2PZ5814
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50079703
PNG
(4-Hydroxy-6-phenethyl-6-phenyl-3-(thiophen-2-ylsul...)
Show SMILES O=C1CC(CCc2ccccc2)(OC(=O)C1Sc1cccs1)c1ccccc1
Show InChI InChI=1S/C23H20O3S2/c24-19-16-23(18-10-5-2-6-11-18,14-13-17-8-3-1-4-9-17)26-22(25)21(19)28-20-12-7-15-27-20/h1-12,15,21H,13-14,16H2
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n/an/a 290n/an/an/an/a4.7n/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7


Bioorg Med Chem Lett 9: 2019-24 (1999)


Article DOI: 10.1016/s0960-894x(99)00332-7
BindingDB Entry DOI: 10.7270/Q2PZ5814
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50079698
PNG
(4-Hydroxy-3-(3-methyl-benzo[b]thiophen-2-ylsulfany...)
Show SMILES Cc1c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)sc2ccccc12
Show InChI InChI=1S/C28H24O3S2/c1-19-22-14-8-9-15-24(22)32-27(19)33-25-23(29)18-28(31-26(25)30,21-12-6-3-7-13-21)17-16-20-10-4-2-5-11-20/h2-15,25H,16-18H2,1H3
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n/an/a 74n/an/an/an/a4.7n/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7


Bioorg Med Chem Lett 9: 2019-24 (1999)


Article DOI: 10.1016/s0960-894x(99)00332-7
BindingDB Entry DOI: 10.7270/Q2PZ5814
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50079708
PNG
(3-(Benzo[b]thiophen-2-ylsulfanyl)-4-hydroxy-6-phen...)
Show SMILES O=C1CC(CCc2ccccc2)(OC(=O)C1Sc1cc2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C27H22O3S2/c28-22-18-27(21-12-5-2-6-13-21,16-15-19-9-3-1-4-10-19)30-26(29)25(22)32-24-17-20-11-7-8-14-23(20)31-24/h1-14,17,25H,15-16,18H2
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n/an/a 363n/an/an/an/a4.7n/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7


Bioorg Med Chem Lett 9: 2019-24 (1999)


Article DOI: 10.1016/s0960-894x(99)00332-7
BindingDB Entry DOI: 10.7270/Q2PZ5814
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50079709
PNG
(4-Hydroxy-3-(3-methyl-thiophen-2-ylsulfanyl)-6-phe...)
Show SMILES Cc1ccsc1SC1C(=O)CC(CCc2ccccc2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C24H22O3S2/c1-17-13-15-28-23(17)29-21-20(25)16-24(27-22(21)26,19-10-6-3-7-11-19)14-12-18-8-4-2-5-9-18/h2-11,13,15,21H,12,14,16H2,1H3
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n/an/a 195n/an/an/an/a4.7n/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7


Bioorg Med Chem Lett 9: 2019-24 (1999)


Article DOI: 10.1016/s0960-894x(99)00332-7
BindingDB Entry DOI: 10.7270/Q2PZ5814
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50079702
PNG
(3-(3-tert-Butyl-5,6,7,8-tetrahydro-naphthalen-2-yl...)
Show SMILES CC(C)(C)c1cc2CCCCc2cc1SC1C(=O)CC(CCc2ccccc2)(OC1=O)c1ccccc1
Show InChI InChI=1S/C33H36O3S/c1-32(2,3)27-20-24-14-10-11-15-25(24)21-29(27)37-30-28(34)22-33(36-31(30)35,26-16-8-5-9-17-26)19-18-23-12-6-4-7-13-23/h4-9,12-13,16-17,20-21,30H,10-11,14-15,18-19,22H2,1-3H3
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n/an/a 28n/an/an/an/a4.7n/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7


Bioorg Med Chem Lett 9: 2019-24 (1999)


Article DOI: 10.1016/s0960-894x(99)00332-7
BindingDB Entry DOI: 10.7270/Q2PZ5814
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50079707
PNG
(3-(3-Ethyl-benzo[b]thiophen-2-ylsulfanyl)-4-hydrox...)
Show SMILES CCc1c(SC2C(=O)CC(CCc3ccccc3)(OC2=O)c2ccccc2)sc2ccccc12
Show InChI InChI=1S/C29H26O3S2/c1-2-22-23-15-9-10-16-25(23)33-28(22)34-26-24(30)19-29(32-27(26)31,21-13-7-4-8-14-21)18-17-20-11-5-3-6-12-20/h3-16,26H,2,17-19H2,1H3
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n/an/a 28n/an/an/an/a4.7n/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1(HIV-1) protease at pH 4.7


Bioorg Med Chem Lett 9: 2019-24 (1999)


Article DOI: 10.1016/s0960-894x(99)00332-7
BindingDB Entry DOI: 10.7270/Q2PZ5814
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
Human immunodeficiency virus type 1 protease


(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
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