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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'nishigaki' and Initial = 't'   
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
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4227
PNG
(AHPBA 35a | Z-Asn.(2S,3S)-AHPBA-[3(R)-hydroxy]Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C(O)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H41N5O8/c1-31(2,3)35-28(41)25-23(37)14-15-36(25)29(42)26(39)21(16-19-10-6-4-7-11-19)33-27(40)22(17-24(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-23,25-26,37,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t21-,22-,23?,25-,26-/m0/s1
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0.100 -59.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4216
PNG
(AHPBA 24a | Z.Asn-(2S,3S)-AHPBA-[4(S)-hydroxy]Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(O)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H41N5O8/c1-31(2,3)35-28(41)24-15-21(37)17-36(24)29(42)26(39)22(14-19-10-6-4-7-11-19)33-27(40)23(16-25(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,37,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t21?,22-,23-,24-,26-/m0/s1
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1 -53.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4224
PNG
(AHPBA 32a | Z.Asn.( 2S,3S).AHPBA. [ 4( S)-morpholi...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)N1CCOCC1 |r|
Show InChI InChI=1S/C35H48N6O8/c1-35(2,3)39-32(45)28-19-25(40-14-16-48-17-15-40)21-41(28)33(46)30(43)26(18-23-10-6-4-7-11-23)37-31(44)27(20-29(36)42)38-34(47)49-22-24-12-8-5-9-13-24/h4-13,25-28,30,43H,14-22H2,1-3H3,(H2,36,42)(H,37,44)(H,38,47)(H,39,45)/t25?,26-,27-,28-,30-/m0/s1
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1 -53.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4236
PNG
((2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)...)
Show SMILES COc1cccc2cc(oc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C33H40ClN5O8/c1-33(2,3)38-30(43)23-15-20(34)17-39(23)32(45)27(41)21(13-18-9-6-5-7-10-18)36-29(42)22(16-26(35)40)37-31(44)25-14-19-11-8-12-24(46-4)28(19)47-25/h5-12,14,20-23,27,41H,13,15-17H2,1-4H3,(H2,35,40)(H,36,42)(H,37,44)(H,38,43)/t20-,21-,22-,23-,27-/m0/s1
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4.5 -49.6n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4230
PNG
((2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cnc2ccccc2n1 |r|
Show InChI InChI=1S/C32H38ClN7O6/c1-32(2,3)39-30(45)25-14-19(33)17-40(25)31(46)27(42)22(13-18-9-5-4-6-10-18)37-28(43)23(15-26(34)41)38-29(44)24-16-35-20-11-7-8-12-21(20)36-24/h4-12,16,19,22-23,25,27,42H,13-15,17H2,1-3H3,(H2,34,41)(H,37,43)(H,38,44)(H,39,45)/t19-,22-,23-,25-,27-/m0/s1
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4.70 -49.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4218
PNG
(AHPBA 26a | Z.Asn-(2S,3S).AHPBA.[4(S).chloro]Pro t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40ClN5O7/c1-31(2,3)36-28(41)24-15-21(32)17-37(24)29(42)26(39)22(14-19-10-6-4-7-11-19)34-27(40)23(16-25(33)38)35-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,39H,14-18H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t21?,22-,23-,24-,26-/m0/s1
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8 -48.1n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4225
PNG
(AHPBA 33a | Z-Asn.(2S,3S)-AHPBA.(4.oxo)Pro tert-bu...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(=O)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H39N5O8/c1-31(2,3)35-28(41)24-15-21(37)17-36(24)29(42)26(39)22(14-19-10-6-4-7-11-19)33-27(40)23(16-25(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,22-24,26,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t22-,23-,24-,26-/m0/s1
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12.5 -46.9n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4231
PNG
((2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1cc2cc(F)ccc2[nH]1 |r|
Show InChI InChI=1S/C32H38ClFN6O6/c1-32(2,3)39-30(45)25-14-19(33)16-40(25)31(46)27(42)22(11-17-7-5-4-6-8-17)37-29(44)24(15-26(35)41)38-28(43)23-13-18-12-20(34)9-10-21(18)36-23/h4-10,12-13,19,22,24-25,27,36,42H,11,14-16H2,1-3H3,(H2,35,41)(H,37,44)(H,38,43)(H,39,45)/t19-,22-,24-,25-,27-/m0/s1
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12.5 -46.9n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4229
PNG
(AHPBA 37a | Z-Asn.(2S,3S)-AHPBA.[3(S)-chloro]Pro t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1[C@@H](Cl)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40ClN5O7/c1-31(2,3)36-28(41)25-21(32)14-15-37(25)29(42)26(39)22(16-19-10-6-4-7-11-19)34-27(40)23(17-24(33)38)35-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-23,25-26,39H,14-18H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t21-,22-,23-,25-,26-/m0/s1
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14.5 -46.5n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4234
PNG
((1-Methylindazole-3-carbonyl)-Asn-(2S,3S)-AHPBA-[4...)
Show SMILES Cn1nc(C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c2ccccc12 |r|
Show InChI InChI=1S/C32H40ClN7O6/c1-32(2,3)37-29(44)24-15-19(33)17-40(24)31(46)27(42)21(14-18-10-6-5-7-11-18)35-28(43)22(16-25(34)41)36-30(45)26-20-12-8-9-13-23(20)39(4)38-26/h5-13,19,21-22,24,27,42H,14-17H2,1-4H3,(H2,34,41)(H,35,43)(H,36,45)(H,37,44)/t19-,21-,22-,24-,27-/m0/s1
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16 -46.3n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4221
PNG
(AHPBA 29a | Z-Asn-(2S,3S)-AHPBA- [4(S)-fluoro] Pro...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(F)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40FN5O7/c1-31(2,3)36-28(41)24-15-21(32)17-37(24)29(42)26(39)22(14-19-10-6-4-7-11-19)34-27(40)23(16-25(33)38)35-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,39H,14-18H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t21?,22-,23-,24-,26-/m0/s1
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18 -46.0n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4233
PNG
((1-Methylindole- 3 -carbonyl)- Asn - (2S,3S)-AHPBA...)
Show SMILES Cn1cc(C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c2ccccc12 |r|
Show InChI InChI=1S/C33H41ClN6O6/c1-33(2,3)38-31(45)26-15-20(34)17-40(26)32(46)28(42)23(14-19-10-6-5-7-11-19)36-30(44)24(16-27(35)41)37-29(43)22-18-39(4)25-13-9-8-12-21(22)25/h5-13,18,20,23-24,26,28,42H,14-17H2,1-4H3,(H2,35,41)(H,36,44)(H,37,43)(H,38,45)/t20-,23-,24-,26-,28-/m0/s1
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20 -45.7n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4232
PNG
((2S)-N-[(2S,3S)-4-[(2S,4S)-2-(tert-butylcarbamoyl)...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C33H41ClN6O7/c1-33(2,3)39-31(45)26-15-20(34)17-40(26)32(46)28(42)23(12-18-8-6-5-7-9-18)37-30(44)25(16-27(35)41)38-29(43)24-14-19-13-21(47-4)10-11-22(19)36-24/h5-11,13-14,20,23,25-26,28,36,42H,12,15-17H2,1-4H3,(H2,35,41)(H,37,44)(H,38,43)(H,39,45)/t20-,23-,25-,26-,28-/m0/s1
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21.5 -45.5n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4220
PNG
(AHPBA 28a | Z-Asn-(2S,3S)-AHPBA.[4(S)-bromo]Pro te...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(Br)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40BrN5O7/c1-31(2,3)36-28(41)24-15-21(32)17-37(24)29(42)26(39)22(14-19-10-6-4-7-11-19)34-27(40)23(16-25(33)38)35-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,39H,14-18H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t21?,22-,23-,24-,26-/m0/s1
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22.5 -45.4n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4235
PNG
((2S)-2-(1,2-benzoxazol-3-ylformamido)-N-[(2S,3S)-4...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1noc2ccccc12 |r|
Show InChI InChI=1S/C31H37ClN6O7/c1-31(2,3)36-28(42)22-14-18(32)16-38(22)30(44)26(40)20(13-17-9-5-4-6-10-17)34-27(41)21(15-24(33)39)35-29(43)25-19-11-7-8-12-23(19)45-37-25/h4-12,18,20-22,26,40H,13-16H2,1-3H3,(H2,33,39)(H,34,41)(H,35,43)(H,36,42)/t18-,20-,21-,22-,26-/m0/s1
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28 -44.8n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4228
PNG
(AHPBA 36a | Z.Asn-(2S,3S).AHPBA.[3(S)-hydroxy]Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1[C@@H](O)CCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H41N5O8/c1-31(2,3)35-28(41)25-23(37)14-15-36(25)29(42)26(39)21(16-19-10-6-4-7-11-19)33-27(40)22(17-24(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-23,25-26,37,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t21-,22-,23-,25-,26-/m0/s1
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32 -44.5n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4222
PNG
(AHPBA 30a | Z.Asn-(2S,3S)-AHPBA.(4,4-difluoro)Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H39F2N5O7/c1-30(2,3)37-27(42)23-16-31(32,33)18-38(23)28(43)25(40)21(14-19-10-6-4-7-11-19)35-26(41)22(15-24(34)39)36-29(44)45-17-20-12-8-5-9-13-20/h4-13,21-23,25,40H,14-18H2,1-3H3,(H2,34,39)(H,35,41)(H,36,44)(H,37,42)/t21-,22-,23-,25-/m0/s1
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35 -44.3n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4217
PNG
(AHPBA 25a | Z.Asn.(2S,3S).AHPBA-[4(R).hydroxy]Pro ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H41N5O8/c1-31(2,3)35-28(41)24-15-21(37)17-36(24)29(42)26(39)22(14-19-10-6-4-7-11-19)33-27(40)23(16-25(32)38)34-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,37,39H,14-18H2,1-3H3,(H2,32,38)(H,33,40)(H,34,43)(H,35,41)/t21-,22+,23+,24+,26+/m1/s1
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56 -43.1n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4215
PNG
(AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
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57.5 -43.0n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4219
PNG
(AHPBA 27a | Z-Asn-( 2S,3S).AHPBA. [ 4(R ).chloro ]...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C31H40ClN5O7/c1-31(2,3)36-28(41)24-15-21(32)17-37(24)29(42)26(39)22(14-19-10-6-4-7-11-19)34-27(40)23(16-25(33)38)35-30(43)44-18-20-12-8-5-9-13-20/h4-13,21-24,26,39H,14-18H2,1-3H3,(H2,33,38)(H,34,40)(H,35,43)(H,36,41)/t21-,22+,23+,24+,26+/m1/s1
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90 -41.8n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4226
PNG
(AHPBA 34a | Z-Asn-(2S,3S)-AHPBA.(4,4-dimethoxy)Pro...)
Show SMILES COC1(C[C@H](N(C1)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C(=O)NC(C)(C)C)OC |r|
Show InChI InChI=1S/C33H45N5O9/c1-32(2,3)37-29(42)25-18-33(45-4,46-5)20-38(25)30(43)27(40)23(16-21-12-8-6-9-13-21)35-28(41)24(17-26(34)39)36-31(44)47-19-22-14-10-7-11-15-22/h6-15,23-25,27,40H,16-20H2,1-5H3,(H2,34,39)(H,35,41)(H,36,44)(H,37,42)/t23-,24-,25-,27-/m0/s1
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92 -41.8n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4223
PNG
(AHPBA 31a | Z.Asn-(2S,3S)-AHPBA-[ 4(S)-phenylthio]...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CC(CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)Sc1ccccc1 |r|
Show InChI InChI=1S/C37H45N5O7S/c1-37(2,3)41-34(46)30-20-27(50-26-17-11-6-12-18-26)22-42(30)35(47)32(44)28(19-24-13-7-4-8-14-24)39-33(45)29(21-31(38)43)40-36(48)49-23-25-15-9-5-10-16-25/h4-18,27-30,32,44H,19-23H2,1-3H3,(H2,38,43)(H,39,45)(H,40,48)(H,41,46)/t27?,28-,29-,30-,32-/m0/s1
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125 -41.0n/an/an/an/an/a4.737



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 4: 1365-77 (1996)


Article DOI: 10.1016/0968-0896(96)00130-7
BindingDB Entry DOI: 10.7270/Q2V9868K
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4124
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H34ClN3O5/c1-16-19(11-8-12-22(16)32)24(34)29-20(13-17-9-6-5-7-10-17)23(33)26(36)31-15-18(28)14-21(31)25(35)30-27(2,3)4/h5-12,18,20-21,23,32-33H,13-15H2,1-4H3,(H,29,34)(H,30,35)/t18-,20-,21-,23-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4265
PNG
((2-Ethyl-3-hydroxy)benzoyl-(2S,3S)-AHPBA-4(S)-Cl-P...)
Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-5-19-20(12-9-13-23(19)33)25(35)30-21(14-17-10-7-6-8-11-17)24(34)27(37)32-16-18(29)15-22(32)26(36)31-28(2,3)4/h6-13,18,21-22,24,33-34H,5,14-16H2,1-4H3,(H,30,35)(H,31,36)/t18-,21-,22-,24-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4264
PNG
((2-Bromo-3-hydroxy)benzoyl-(2S,3S)-AHPBA-4(S)-Cl-P...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1Br |r|
Show InChI InChI=1S/C26H31BrClN3O5/c1-26(2,3)30-24(35)19-13-16(28)14-31(19)25(36)22(33)18(12-15-8-5-4-6-9-15)29-23(34)17-10-7-11-20(32)21(17)27/h4-11,16,18-19,22,32-33H,12-14H2,1-3H3,(H,29,34)(H,30,35)/t16-,18-,19-,22-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4266
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CCCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H38ClN3O5/c1-5-10-20-21(13-9-14-24(20)34)26(36)31-22(15-18-11-7-6-8-12-18)25(35)28(38)33-17-19(30)16-23(33)27(37)32-29(2,3)4/h6-9,11-14,19,22-23,25,34-35H,5,10,15-17H2,1-4H3,(H,31,36)(H,32,37)/t19-,22-,23-,25-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4146
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccc(O)c(C)c1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-16-11-12-22(33)17(2)23(16)26(36)30-20(13-18-9-7-6-8-10-18)24(34)27(37)32-15-19(29)14-21(32)25(35)31-28(3,4)5/h6-12,19-21,24,33-34H,13-15H2,1-5H3,(H,30,36)(H,31,35)/t19-,20-,21-,24-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4256
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(2,6-d...)
Show SMILES Cc1cccc(C)c1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H36ClN3O4/c1-17-10-9-11-18(2)23(17)26(35)30-21(14-19-12-7-6-8-13-19)24(33)27(36)32-16-20(29)15-22(32)25(34)31-28(3,4)5/h6-13,20-22,24,33H,14-16H2,1-5H3,(H,30,35)(H,31,34)/t20-,21-,22-,24-/m0/s1
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n/an/a 3.60n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4245
PNG
((3S)-3,6-dihydro-2H-pyran-3-yl N-[(2S,3S)-4-[(2S,4...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1COCC=C1 |r,c:35|
Show InChI InChI=1S/C25H34ClN3O6/c1-25(2,3)28-22(31)20-13-17(26)14-29(20)23(32)21(30)19(12-16-8-5-4-6-9-16)27-24(33)35-18-10-7-11-34-15-18/h4-10,17-21,30H,11-15H2,1-3H3,(H,27,33)(H,28,31)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4238
PNG
(AHPBA 6 | [3(R,S)-(Tetrahydrofuranyl)oxy]carbonyl-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCOC1 |r|
Show InChI InChI=1S/C24H34ClN3O6/c1-24(2,3)27-21(30)19-12-16(25)13-28(19)22(31)20(29)18(11-15-7-5-4-6-8-15)26-23(32)34-17-9-10-33-14-17/h4-8,16-20,29H,9-14H2,1-3H3,(H,26,32)(H,27,30)/t16-,17?,18-,19-,20-/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4241
PNG
((3S)-oxolan-3-yl N-[(2S,3S)-4-[(2S,4S)-2-(tert-but...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 |r|
Show InChI InChI=1S/C24H34ClN3O6/c1-24(2,3)27-21(30)19-12-16(25)13-28(19)22(31)20(29)18(11-15-7-5-4-6-8-15)26-23(32)34-17-9-10-33-14-17/h4-8,16-20,29H,9-14H2,1-3H3,(H,26,32)(H,27,30)/t16-,17-,18-,19-,20-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4251
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H34ClN3O4/c1-17-10-8-9-13-20(17)24(33)29-21(14-18-11-6-5-7-12-18)23(32)26(35)31-16-19(28)15-22(31)25(34)30-27(2,3)4/h5-13,19,21-23,32H,14-16H2,1-4H3,(H,29,33)(H,30,34)/t19-,21-,22-,23-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4268
PNG
((2S,4S)-1-[(2S,3S)-3-[(3-amino-2-methylphenyl)form...)
Show SMILES Cc1c(N)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H35ClN4O4/c1-16-19(11-8-12-20(16)29)24(34)30-21(13-17-9-6-5-7-10-17)23(33)26(36)32-15-18(28)14-22(32)25(35)31-27(2,3)4/h5-12,18,21-23,33H,13-15,29H2,1-4H3,(H,30,34)(H,31,35)/t18-,21-,22-,23-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4263
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(3-flu...)
Show SMILES Cc1c(F)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H33ClFN3O4/c1-16-19(11-8-12-20(16)29)24(34)30-21(13-17-9-6-5-7-10-17)23(33)26(36)32-15-18(28)14-22(32)25(35)31-27(2,3)4/h5-12,18,21-23,33H,13-15H2,1-4H3,(H,30,34)(H,31,35)/t18-,21-,22-,23-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4239
PNG
(AHPBA 8 | [3(R, S) - (Tetrahydrothiophenyl)oxy]car...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCSC1 |r|
Show InChI InChI=1S/C24H34ClN3O5S/c1-24(2,3)27-21(30)19-12-16(25)13-28(19)22(31)20(29)18(11-15-7-5-4-6-8-15)26-23(32)33-17-9-10-34-14-17/h4-8,16-20,29H,9-14H2,1-3H3,(H,26,32)(H,27,30)/t16-,17?,18-,19-,20-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4260
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C26H32ClN3O5/c1-26(2,3)29-24(34)21-14-18(27)15-30(21)25(35)22(32)20(12-16-8-5-4-6-9-16)28-23(33)17-10-7-11-19(31)13-17/h4-11,13,18,20-22,31-32H,12,14-15H2,1-3H3,(H,28,33)(H,29,34)/t18-,20-,21-,22-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4269
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C30H34ClN3O4/c1-30(2,3)33-28(37)25-17-21(31)18-34(25)29(38)26(35)24(16-19-10-5-4-6-11-19)32-27(36)23-15-9-13-20-12-7-8-14-22(20)23/h4-15,21,24-26,35H,16-18H2,1-3H3,(H,32,36)(H,33,37)/t21-,24-,25-,26-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4240
PNG
(1,1-dioxo--thiolan-3-yl N-[(2S,3S)-4-[(2S,4S)-2-(t...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCS(=O)(=O)C1 |r|
Show InChI InChI=1S/C24H34ClN3O7S/c1-24(2,3)27-21(30)19-12-16(25)13-28(19)22(31)20(29)18(11-15-7-5-4-6-8-15)26-23(32)35-17-9-10-36(33,34)14-17/h4-8,16-20,29H,9-14H2,1-3H3,(H,26,32)(H,27,30)/t16-,17?,18-,19-,20-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4252
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(2-chl...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C26H31Cl2N3O4/c1-26(2,3)30-24(34)21-14-17(27)15-31(21)25(35)22(32)20(13-16-9-5-4-6-10-16)29-23(33)18-11-7-8-12-19(18)28/h4-12,17,20-22,32H,13-15H2,1-3H3,(H,29,33)(H,30,34)/t17-,20-,21-,22-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4253
PNG
((2S,4S)-1-[(2S,3S)-3-[(2-bromophenyl)formamido]-2-...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1Br |r|
Show InChI InChI=1S/C26H31BrClN3O4/c1-26(2,3)30-24(34)21-14-17(28)15-31(21)25(35)22(32)20(13-16-9-5-4-6-10-16)29-23(33)18-11-7-8-12-19(18)27/h4-12,17,20-22,32H,13-15H2,1-3H3,(H,29,33)(H,30,34)/t17-,20-,21-,22-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4254
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1I |r|
Show InChI InChI=1S/C26H31ClIN3O4/c1-26(2,3)30-24(34)21-14-17(27)15-31(21)25(35)22(32)20(13-16-9-5-4-6-10-16)29-23(33)18-11-7-8-12-19(18)28/h4-12,17,20-22,32H,13-15H2,1-3H3,(H,29,33)(H,30,34)/t17-,20-,21-,22-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4246
PNG
((3S)-oxan-3-yl N-[(2S,3S)-4-[(2S,4S)-2-(tert-butyl...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCCOC1 |r|
Show InChI InChI=1S/C25H36ClN3O6/c1-25(2,3)28-22(31)20-13-17(26)14-29(20)23(32)21(30)19(12-16-8-5-4-6-9-16)27-24(33)35-18-10-7-11-34-15-18/h4-6,8-9,17-21,30H,7,10-15H2,1-3H3,(H,27,33)(H,28,31)/t17-,18-,19-,20-,21-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4237
PNG
(3-Benzyloxy-2-n-propylbenzaldehyde | AHPBA 2 | cyc...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 |r|
Show InChI InChI=1S/C25H36ClN3O5/c1-25(2,3)28-22(31)20-14-17(26)15-29(20)23(32)21(30)19(13-16-9-5-4-6-10-16)27-24(33)34-18-11-7-8-12-18/h4-6,9-10,17-21,30H,7-8,11-15H2,1-3H3,(H,27,33)(H,28,31)/t17-,19-,20-,21-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4262
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(3-flu...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C26H31ClFN3O4/c1-26(2,3)30-24(34)21-14-18(27)15-31(21)25(35)22(32)20(12-16-8-5-4-6-9-16)29-23(33)17-10-7-11-19(28)13-17/h4-11,13,18,20-22,32H,12,14-15H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21-,22-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4242
PNG
((1,4:3,6-Dianhydro-D-sorbitol)carbonyl-(2S,3S)-AHP...)
Show SMILES [H][C@]12OC[C@@H](OC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(=O)N3C[C@@H](Cl)C[C@H]3C(=O)NC(C)(C)C)[C@@]1([H])OC[C@H]2O |r|
Show InChI InChI=1S/C26H36ClN3O8/c1-26(2,3)29-23(33)17-10-15(27)11-30(17)24(34)20(32)16(9-14-7-5-4-6-8-14)28-25(35)38-19-13-37-21-18(31)12-36-22(19)21/h4-8,15-22,31-32H,9-13H2,1-3H3,(H,28,35)(H,29,33)/t15-,16-,17-,18+,19+,20-,21+,22+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4250
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H32ClN3O4/c1-26(2,3)29-24(33)21-15-19(27)16-30(21)25(34)22(31)20(14-17-10-6-4-7-11-17)28-23(32)18-12-8-5-9-13-18/h4-13,19-22,31H,14-16H2,1-3H3,(H,28,32)(H,29,33)/t19-,20-,21-,22-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4255
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CCCc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H38ClN3O4/c1-5-11-20-14-9-10-15-22(20)26(35)31-23(16-19-12-7-6-8-13-19)25(34)28(37)33-18-21(30)17-24(33)27(36)32-29(2,3)4/h6-10,12-15,21,23-25,34H,5,11,16-18H2,1-4H3,(H,31,35)(H,32,36)/t21-,23-,24-,25-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4244
PNG
((2R,3S)-2-methoxy-3,6-dihydro-2H-pyran-3-yl N-[(2S...)
Show SMILES CO[C@@H]1OCC=C[C@@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r,c:5|
Show InChI InChI=1S/C26H36ClN3O7/c1-26(2,3)29-22(32)19-14-17(27)15-30(19)23(33)21(31)18(13-16-9-6-5-7-10-16)28-25(34)37-20-11-8-12-36-24(20)35-4/h5-11,17-21,24,31H,12-15H2,1-4H3,(H,28,34)(H,29,32)/t17-,18-,19-,20-,21-,24+/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4261
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C26H32ClN3O5/c1-26(2,3)29-24(34)21-14-18(27)15-30(21)25(35)22(32)20(13-16-7-5-4-6-8-16)28-23(33)17-9-11-19(31)12-10-17/h4-12,18,20-22,31-32H,13-15H2,1-3H3,(H,28,33)(H,29,34)/t18-,20-,21-,22-/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)
BDBM4243
PNG
((2S,3R)-2-methoxy-3,6-dihydro-2H-pyran-3-yl N-[(2S...)
Show SMILES CO[C@H]1OCC=C[C@H]1OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r,c:5|
Show InChI InChI=1S/C26H36ClN3O7/c1-26(2,3)29-22(32)19-14-17(27)15-30(19)23(33)21(31)18(13-16-9-6-5-7-10-16)28-25(34)37-20-11-8-12-36-24(20)35-4/h5-11,17-21,24,31H,12-15H2,1-4H3,(H,28,34)(H,29,32)/t17-,18-,19-,20+,21-,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...


Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
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