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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 313   
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)		BDBM348
PNG
((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C32H46N4O8/c1-19(2)23(29(39)33-5)35-31(41)27(43-17-21-13-9-7-10-14-21)25(37)26(38)28(44-18-22-15-11-8-12-16-22)32(42)36-24(20(3)4)30(40)34-6/h7-16,19-20,23-28,37-38H,17-18H2,1-6H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)/t23-,24-,25+,26+,27+,28+/m0/s1
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 0.800 -52.8n/an/an/an/an/a5.030



Linkoping University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM353
PNG
((2R,3R,4R,5R)-2,5-bis[(2,4-difluorophenyl)methoxy]...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(F)cc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C32H42F4N4O8/c1-15(2)23(29(43)37-5)39-31(45)27(47-13-17-7-9-19(33)11-21(17)35)25(41)26(42)28(32(46)40-24(16(3)4)30(44)38-6)48-14-18-8-10-20(34)12-22(18)36/h7-12,15-16,23-28,41-42H,13-14H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t23-,24-,25+,26+,27+,28+/m0/s1
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 1.12 -51.9n/an/an/an/an/a5.030



Linkoping University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM358
PNG
((2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H40N2O8/c41-29-19-25-15-7-9-17-27(25)31(29)39-37(45)35(47-21-23-11-3-1-4-12-23)33(43)34(44)36(48-22-24-13-5-2-6-14-24)38(46)40-32-28-18-10-8-16-26(28)20-30(32)42/h1-18,29-36,41-44H,19-22H2,(H,39,45)(H,40,46)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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 1.22 -51.7n/an/an/an/an/a5.030



Linkoping University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM352
PNG
((2R,3R,4R,5R)-2,5-bis[(2,3-difluorophenyl)methoxy]...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(F)c1F)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C32H42F4N4O8/c1-15(2)23(29(43)37-5)39-31(45)27(47-13-17-9-7-11-19(33)21(17)35)25(41)26(42)28(32(46)40-24(16(3)4)30(44)38-6)48-14-18-10-8-12-20(34)22(18)36/h7-12,15-16,23-28,41-42H,13-14H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t23-,24-,25+,26+,27+,28+/m0/s1
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 1.28 -51.6n/an/an/an/an/a5.030



Linkoping University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM365
PNG
((2R,3R,4R,5R)-2,5-bis[(2,6-difluorophenyl)methoxy]...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1c(F)cccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1c(F)cccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H36F4N2O8/c39-25-11-5-12-26(40)23(25)17-51-35(37(49)43-31-21-9-3-1-7-19(21)15-29(31)45)33(47)34(48)36(52-18-24-27(41)13-6-14-28(24)42)38(50)44-32-22-10-4-2-8-20(22)16-30(32)46/h1-14,29-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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 1.64 -51.0n/an/an/an/an/a5.030



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Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM363
PNG
((2R,3R,4R,5R)-2,5-bis[(2,4-difluorophenyl)methoxy]...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccc(F)cc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H36F4N2O8/c39-23-11-9-21(27(41)15-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)13-29(31)45)33(47)34(48)36(52-18-22-10-12-24(40)16-28(22)42)38(50)44-32-26-8-4-2-6-20(26)14-30(32)46/h1-12,15-16,29-36,45-48H,13-14,17-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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 1.65 -51.0n/an/an/an/an/a5.030



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Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM355
PNG
((2R,3R,4R,5R)-2,5-bis[(2,6-difluorophenyl)methoxy]...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1c(F)cccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1c(F)cccc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C32H42F4N4O8/c1-15(2)23(29(43)37-5)39-31(45)27(47-13-17-19(33)9-7-10-20(17)34)25(41)26(42)28(32(46)40-24(16(3)4)30(44)38-6)48-14-18-21(35)11-8-12-22(18)36/h7-12,15-16,23-28,41-42H,13-14H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t23-,24-,25+,26+,27+,28+/m0/s1
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 1.73 -50.8n/an/an/an/an/a5.030



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Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM351
PNG
((2R,3R,4R,5R)-2,5-bis[(4-fluorophenyl)methoxy]-3,4...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(F)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C32H44F2N4O8/c1-17(2)23(29(41)35-5)37-31(43)27(45-15-19-7-11-21(33)12-8-19)25(39)26(40)28(46-16-20-9-13-22(34)14-10-20)32(44)38-24(18(3)4)30(42)36-6/h7-14,17-18,23-28,39-40H,15-16H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,24-,25+,26+,27+,28+/m0/s1
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 1.79 -50.8n/an/an/an/an/a5.030



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Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM350
PNG
((2R,3R,4R,5R)-2,5-bis[(3-fluorophenyl)methoxy]-3,4...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cccc(F)c1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C32H44F2N4O8/c1-17(2)23(29(41)35-5)37-31(43)27(45-15-19-9-7-11-21(33)13-19)25(39)26(40)28(46-16-20-10-8-12-22(34)14-20)32(44)38-24(18(3)4)30(42)36-6/h7-14,17-18,23-28,39-40H,15-16H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,24-,25+,26+,27+,28+/m0/s1
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 1.83 -50.7n/an/an/an/an/a5.030



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Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM349
PNG
((2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)methoxy]-3,4...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C32H44F2N4O8/c1-17(2)23(29(41)35-5)37-31(43)27(45-15-19-11-7-9-13-21(19)33)25(39)26(40)28(46-16-20-12-8-10-14-22(20)34)32(44)38-24(18(3)4)30(42)36-6/h7-14,17-18,23-28,39-40H,15-16H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,24-,25+,26+,27+,28+/m0/s1
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 1.92 -50.6n/an/an/an/an/a5.030



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Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM356
PNG
((2R,3R,4R,5R)-2,5-bis[(3,4-difluorophenyl)methoxy]...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(F)c(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(F)c(F)c1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C32H42F4N4O8/c1-15(2)23(29(43)37-5)39-31(45)27(47-13-17-7-9-19(33)21(35)11-17)25(41)26(42)28(32(46)40-24(16(3)4)30(44)38-6)48-14-18-8-10-20(34)22(36)12-18/h7-12,15-16,23-28,41-42H,13-14H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t23-,24-,25+,26+,27+,28+/m0/s1
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 1.98 -50.5n/an/an/an/an/a5.030



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Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM354
PNG
((2R,3R,4R,5R)-2,5-bis[(2,5-difluorophenyl)methoxy]...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cc(F)ccc1F)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C32H42F4N4O8/c1-15(2)23(29(43)37-5)39-31(45)27(47-13-17-11-19(33)7-9-21(17)35)25(41)26(42)28(32(46)40-24(16(3)4)30(44)38-6)48-14-18-12-20(34)8-10-22(18)36/h7-12,15-16,23-28,41-42H,13-14H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t23-,24-,25+,26+,27+,28+/m0/s1
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 1.98 -50.5n/an/an/an/an/a5.030



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Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM357
PNG
((2R,3R,4R,5R)-2,5-bis[(3,5-difluorophenyl)methoxy]...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](OCc1cc(F)cc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc1cc(F)cc(F)c1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C32H42F4N4O8/c1-15(2)23(29(43)37-5)39-31(45)27(47-13-17-7-19(33)11-20(34)8-17)25(41)26(42)28(32(46)40-24(16(3)4)30(44)38-6)48-14-18-9-21(35)12-22(36)10-18/h7-12,15-16,23-28,41-42H,13-14H2,1-6H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t23-,24-,25+,26+,27+,28+/m0/s1
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 1.98 -50.5n/an/an/an/an/a5.030



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Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM359
PNG
((2R,3R,4R,5R)-2,5-bis[(2-fluorophenyl)methoxy]-3,4...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H38F2N2O8/c39-27-15-7-3-11-23(27)19-49-35(37(47)41-31-25-13-5-1-9-21(25)17-29(31)43)33(45)34(46)36(50-20-24-12-4-8-16-28(24)40)38(48)42-32-26-14-6-2-10-22(26)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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 3.26 -49.3n/an/an/an/an/a5.030



Linkoping University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM364
PNG
((2R,3R,4R,5R)-2,5-bis[(2,5-difluorophenyl)methoxy]...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1cc(F)ccc1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H36F4N2O8/c39-23-9-11-27(41)21(13-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)15-29(31)45)33(47)34(48)36(52-18-22-14-24(40)10-12-28(22)42)38(50)44-32-26-8-4-2-6-20(26)16-30(32)46/h1-14,29-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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 3.29 -49.2n/an/an/an/an/a5.030



Linkoping University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM366
PNG
((2R,3R,4R,5R)-2,5-bis[(3,4-difluorophenyl)methoxy]...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1ccc(F)c(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccc(F)c(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H36F4N2O8/c39-25-11-9-19(13-27(25)41)17-51-35(37(49)43-31-23-7-3-1-5-21(23)15-29(31)45)33(47)34(48)36(52-18-20-10-12-26(40)28(42)14-20)38(50)44-32-24-8-4-2-6-22(24)16-30(32)46/h1-14,29-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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 3.90 -48.8n/an/an/an/an/a5.030



Linkoping University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM362
PNG
((2R,3R,4R,5R)-2,5-bis[(2,3-difluorophenyl)methoxy]...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1cccc(F)c1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1cccc(F)c1F)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H36F4N2O8/c39-25-13-5-9-21(29(25)41)17-51-35(37(49)43-31-23-11-3-1-7-19(23)15-27(31)45)33(47)34(48)36(52-18-22-10-6-14-26(40)30(22)42)38(50)44-32-24-12-4-2-8-20(24)16-28(32)46/h1-14,27-28,31-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t27-,28-,31+,32+,33-,34-,35-,36-/m1/s1
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 4 -48.7n/an/an/an/an/a5.030



Linkoping University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM367
PNG
((2R,3R,4R,5R)-2,5-bis[(3,5-difluorophenyl)methoxy]...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1cc(F)cc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1cc(F)cc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H36F4N2O8/c39-23-9-19(10-24(40)15-23)17-51-35(37(49)43-31-27-7-3-1-5-21(27)13-29(31)45)33(47)34(48)36(52-18-20-11-25(41)16-26(42)12-20)38(50)44-32-28-8-4-2-6-22(28)14-30(32)46/h1-12,15-16,29-36,45-48H,13-14,17-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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 5 -48.2n/an/an/an/an/a5.030



Linkoping University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM361
PNG
((2R,3R,4R,5R)-2,5-bis[(4-fluorophenyl)methoxy]-3,4...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1ccc(F)cc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H38F2N2O8/c39-25-13-9-21(10-14-25)19-49-35(37(47)41-31-27-7-3-1-5-23(27)17-29(31)43)33(45)34(46)36(50-20-22-11-15-26(40)16-12-22)38(48)42-32-28-8-4-2-6-24(28)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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 5.39 -48.0n/an/an/an/an/a5.030



Linkoping University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM360
PNG
((2R,3R,4R,5R)-2,5-bis[(3-fluorophenyl)methoxy]-3,4...)
Show SMILES O[C@H]([C@@H](O)[C@@H](OCc1cccc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@@H](OCc1cccc(F)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C38H38F2N2O8/c39-25-11-5-7-21(15-25)19-49-35(37(47)41-31-27-13-3-1-9-23(27)17-29(31)43)33(45)34(46)36(50-20-22-8-6-12-26(40)16-22)38(48)42-32-28-14-4-2-10-24(28)18-30(32)44/h1-16,29-36,43-46H,17-20H2,(H,41,47)(H,42,48)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
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 7.13 -47.3n/an/an/an/an/a5.030



Linkoping University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...

J Med Chem 44: 3083-91 (2001)


Article DOI: 10.1021/jm001134q
BindingDB Entry DOI: 10.7270/Q2DZ06GR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)