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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'leberre' and Initial = 'n'   
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 [501-599]


(Human immunodeficiency virus type 1)
BDBM10173
PNG
(lysine sulfonamide analogue 34 | pyridin-4-ylmethy...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OCc1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H47N5O6S/c1-28(2)25-43(50(47,48)34-18-16-32(39)17-19-34)33(26-44)15-9-10-22-41-37(45)36(42-38(46)49-27-29-20-23-40-24-21-29)35(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-8,11-14,16-21,23-24,28,33,35-36,44H,9-10,15,22,25-27,39H2,1-2H3,(H,41,45)(H,42,46)/t33?,36-/m0/s1
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PubMed
0.0200n/a 0.390n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10177
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(c(O)c1)N(=O)=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H45N5O8S/c1-26(2)24-42(52(50,51)32-19-17-30(39)18-20-32)31(25-44)15-9-10-22-40-38(47)36(41-37(46)29-16-21-33(43(48)49)34(45)23-29)35(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-21,23,26,31,35-36,44-45H,9-10,15,22,24-25,39H2,1-2H3,(H,40,47)(H,41,46)/t31?,36-/m0/s1
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Article
PubMed
0.330n/a 0.330n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10170
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)Cc1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H47N5O5S/c1-28(2)26-43(49(47,48)34-20-18-32(39)19-21-34)33(27-44)17-9-10-23-41-38(46)37(42-35(45)24-29-12-11-22-40-25-29)36(30-13-5-3-6-14-30)31-15-7-4-8-16-31/h3-8,11-16,18-22,25,28,33,36-37,44H,9-10,17,23-24,26-27,39H2,1-2H3,(H,41,46)(H,42,45)/t33?,37-/m0/s1
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0.340n/a 0.240n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10172
PNG
(lysine sulfonamide analogue 33 | pyridin-3-ylmethy...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OCc1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H47N5O6S/c1-28(2)25-43(50(47,48)34-20-18-32(39)19-21-34)33(26-44)17-9-10-23-41-37(45)36(42-38(46)49-27-29-12-11-22-40-24-29)35(30-13-5-3-6-14-30)31-15-7-4-8-16-31/h3-8,11-16,18-22,24,28,33,35-36,44H,9-10,17,23,25-27,39H2,1-2H3,(H,41,45)(H,42,46)/t33?,36-/m0/s1
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PubMed
0.360n/a 0.480n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10171
PNG
(lysine sulfonamide analogue 32 | pyridin-2-ylmethy...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OCc1ccccn1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H47N5O6S/c1-28(2)25-43(50(47,48)34-21-19-31(39)20-22-34)33(26-44)18-10-12-24-41-37(45)36(42-38(46)49-27-32-17-9-11-23-40-32)35(29-13-5-3-6-14-29)30-15-7-4-8-16-30/h3-9,11,13-17,19-23,28,33,35-36,44H,10,12,18,24-27,39H2,1-2H3,(H,41,45)(H,42,46)/t33?,36-/m0/s1
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Article
PubMed
0.400n/a 0.120n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10175
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1cccc(O)c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H46N4O6S/c1-27(2)25-42(49(47,48)34-21-19-31(39)20-22-34)32(26-43)17-9-10-23-40-38(46)36(41-37(45)30-16-11-18-33(44)24-30)35(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3-8,11-16,18-22,24,27,32,35-36,43-44H,9-10,17,23,25-26,39H2,1-2H3,(H,40,46)(H,41,45)/t32?,36-/m0/s1
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PubMed
0.400n/a 0.400n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10165
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1cccnc1C)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H47N5O5S/c1-27(2)25-43(49(47,48)33-21-19-31(39)20-22-33)32(26-44)17-10-11-23-41-38(46)36(42-37(45)34-18-12-24-40-28(34)3)35(29-13-6-4-7-14-29)30-15-8-5-9-16-30/h4-9,12-16,18-22,24,27,32,35-36,44H,10-11,17,23,25-26,39H2,1-3H3,(H,41,46)(H,42,45)/t32?,36-/m0/s1
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PubMed
0.400n/a 0.400n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10169
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(=O)[nH]c1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C37H45N5O6S/c1-26(2)24-42(49(47,48)32-19-17-30(38)18-20-32)31(25-43)15-9-10-22-39-37(46)35(41-36(45)29-16-21-33(44)40-23-29)34(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-21,23,26,31,34-35,43H,9-10,15,22,24-25,38H2,1-2H3,(H,39,46)(H,40,44)(H,41,45)/t31?,35-/m0/s1
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0.400n/a 0.5n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10162
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccn1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C37H45N5O5S/c1-27(2)25-42(48(46,47)32-21-19-30(38)20-22-32)31(26-43)17-9-11-24-40-37(45)35(41-36(44)33-18-10-12-23-39-33)34(28-13-5-3-6-14-28)29-15-7-4-8-16-29/h3-8,10,12-16,18-23,27,31,34-35,43H,9,11,17,24-26,38H2,1-2H3,(H,40,45)(H,41,44)/t31?,35-/m0/s1
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0.440n/a 0.460n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10155
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)C1CC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C35H46N4O5S/c1-25(2)23-39(45(43,44)31-20-18-29(36)19-21-31)30(24-40)15-9-10-22-37-35(42)33(38-34(41)28-16-17-28)32(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-8,11-14,18-21,25,28,30,32-33,40H,9-10,15-17,22-24,36H2,1-2H3,(H,37,42)(H,38,41)/t30?,33-/m0/s1
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0.450n/a 0.430n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10179
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES COc1cc(ccc1O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C39H48N4O7S/c1-27(2)25-43(51(48,49)33-20-18-31(40)19-21-33)32(26-44)16-10-11-23-41-39(47)37(42-38(46)30-17-22-34(45)35(24-30)50-3)36(28-12-6-4-7-13-28)29-14-8-5-9-15-29/h4-9,12-15,17-22,24,27,32,36-37,44-45H,10-11,16,23,25-26,40H2,1-3H3,(H,41,47)(H,42,46)/t32?,37-/m0/s1
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0.450n/a 0.5n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10161
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc[nH]1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C36H45N5O5S/c1-26(2)24-41(47(45,46)31-20-18-29(37)19-21-31)30(25-42)16-9-10-22-39-36(44)34(40-35(43)32-17-11-23-38-32)33(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-8,11-15,17-21,23,26,30,33-34,38,42H,9-10,16,22,24-25,37H2,1-2H3,(H,39,44)(H,40,43)/t30?,34-/m0/s1
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0.470n/a 0.430n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10176
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)cc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H46N4O6S/c1-27(2)25-42(49(47,48)34-22-18-31(39)19-23-34)32(26-43)15-9-10-24-40-38(46)36(41-37(45)30-16-20-33(44)21-17-30)35(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-14,16-23,27,32,35-36,43-44H,9-10,15,24-26,39H2,1-2H3,(H,40,46)(H,41,45)/t32?,36-/m0/s1
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PubMed
0.470n/a 0.530n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10178
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(O)c(c1)N(=O)=O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H45N5O8S/c1-26(2)24-42(52(50,51)32-19-17-30(39)18-20-32)31(25-44)15-9-10-22-40-38(47)36(41-37(46)29-16-21-34(45)33(23-29)43(48)49)35(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-21,23,26,31,35-36,44-45H,9-10,15,22,24-25,39H2,1-2H3,(H,40,47)(H,41,46)/t31?,36-/m0/s1
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Article
PubMed
0.480n/a 0.560n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10166
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(C)nc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H47N5O5S/c1-27(2)25-43(49(47,48)34-21-19-32(39)20-22-34)33(26-44)16-10-11-23-40-38(46)36(42-37(45)31-18-17-28(3)41-24-31)35(29-12-6-4-7-13-29)30-14-8-5-9-15-30/h4-9,12-15,17-22,24,27,33,35-36,44H,10-11,16,23,25-26,39H2,1-3H3,(H,40,46)(H,42,45)/t33?,36-/m0/s1
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Article
PubMed
0.5n/a 0.400n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10168
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccc(N)nc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C37H46N6O5S/c1-26(2)24-43(49(47,48)32-19-17-30(38)18-20-32)31(25-44)15-9-10-22-40-37(46)35(42-36(45)29-16-21-33(39)41-23-29)34(27-11-5-3-6-12-27)28-13-7-4-8-14-28/h3-8,11-14,16-21,23,26,31,34-35,44H,9-10,15,22,24-25,38H2,1-2H3,(H2,39,41)(H,40,46)(H,42,45)/t31?,35-/m0/s1
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0.5n/a 0.400n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10157
PNG
(lysine sulfonamide analogue 18 | tert-butyl N-[(1S...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C36H50N4O6S/c1-26(2)24-40(47(44,45)31-21-19-29(37)20-22-31)30(25-41)18-12-13-23-38-34(42)33(39-35(43)46-36(3,4)5)32(27-14-8-6-9-15-27)28-16-10-7-11-17-28/h6-11,14-17,19-22,26,30,32-33,41H,12-13,18,23-25,37H2,1-5H3,(H,38,42)(H,39,43)/t30?,33-/m0/s1
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0.5n/a 0.400n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10159
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C36H49N5O6S/c1-27(2)25-41(48(45,46)32-18-16-30(37)17-19-32)31(26-42)15-9-10-20-38-35(43)34(39-36(44)40-21-23-47-24-22-40)33(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-14,16-19,27,31,33-34,42H,9-10,15,20-26,37H2,1-2H3,(H,38,43)(H,39,44)/t31?,34-/m0/s1
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0.550n/a 0.510n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10163
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1cccnc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C37H45N5O5S/c1-27(2)25-42(48(46,47)33-20-18-31(38)19-21-33)32(26-43)17-9-10-23-40-37(45)35(41-36(44)30-16-11-22-39-24-30)34(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3-8,11-16,18-22,24,27,32,34-35,43H,9-10,17,23,25-26,38H2,1-2H3,(H,40,45)(H,41,44)/t32?,35-/m0/s1
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0.550n/a 0.680n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10153
PNG
((2S)-2-amino-N-[(5R)-5-[(4-aminobenzene)(2-methylp...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](N)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C31H42N4O4S/c1-23(2)21-35(40(38,39)28-18-16-26(32)17-19-28)27(22-36)15-9-10-20-34-31(37)30(33)29(24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-8,11-14,16-19,23,27,29-30,36H,9-10,15,20-22,32-33H2,1-2H3,(H,34,37)/t27?,30-/m0/s1
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0.560n/a 0.5n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10158
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)N(C)C)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C34H47N5O5S/c1-25(2)23-39(45(43,44)30-20-18-28(35)19-21-30)29(24-40)17-11-12-22-36-33(41)32(37-34(42)38(3)4)31(26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-16,18-21,25,29,31-32,40H,11-12,17,22-24,35H2,1-4H3,(H,36,41)(H,37,42)/t29?,32-/m0/s1
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0.580n/a 0.440n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10174
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccccc1O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H46N4O6S/c1-27(2)25-42(49(47,48)32-22-20-30(39)21-23-32)31(26-43)17-11-12-24-40-38(46)36(41-37(45)33-18-9-10-19-34(33)44)35(28-13-5-3-6-14-28)29-15-7-4-8-16-29/h3-10,13-16,18-23,27,31,35-36,43-44H,11-12,17,24-26,39H2,1-2H3,(H,40,46)(H,41,45)/t31?,36-/m0/s1
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0.580n/a 0.630n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10160
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)[n+]1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C36H44N6O5S/c1-27(2)25-42(48(46,47)32-18-16-30(37)17-19-32)31(26-43)15-9-10-20-39-35(44)34(40-36(45)41-23-21-38-22-24-41)33(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-14,16-19,21-24,27,31,33-34,43H,9-10,15,20,25-26,37H2,1-2H3,(H-,39,40,44,45)/p+1/t31?,34-/m0/s1
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0.600n/a 0.520n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10164
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C37H45N5O5S/c1-27(2)25-42(48(46,47)33-18-16-31(38)17-19-33)32(26-43)15-9-10-22-40-37(45)35(41-36(44)30-20-23-39-24-21-30)34(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-8,11-14,16-21,23-24,27,32,34-35,43H,9-10,15,22,25-26,38H2,1-2H3,(H,40,45)(H,41,44)/t32?,35-/m0/s1
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0.660n/a 0.650n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10167
PNG
((2S)-N-[(5R)-5-[(4-aminobenzene)(2-methylpropyl)su...)
Show SMILES CC(C)CN(C(CO)CCCCNC(=O)[C@@H](NC(=O)c1ncccc1O)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C37H45N5O6S/c1-26(2)24-42(49(47,48)31-20-18-29(38)19-21-31)30(25-43)16-9-10-22-40-36(45)35(41-37(46)34-32(44)17-11-23-39-34)33(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-8,11-15,17-21,23,26,30,33,35,43-44H,9-10,16,22,24-25,38H2,1-2H3,(H,40,45)(H,41,46)/t30?,35-/m0/s1
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0.700n/a 0.900n/an/an/an/an/an/a



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122997
PNG
(US8742158, EX 19)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1cccc(=O)[nH]1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C31H40BrN5O6S/c1-21(2)19-37(44(42,43)25-15-13-23(33)14-16-25)24(20-38)9-5-6-17-34-30(40)28(18-22-8-3-4-10-26(22)32)36-31(41)27-11-7-12-29(39)35-27/h3-4,7-8,10-16,21,24,28,38H,5-6,9,17-20,33H2,1-2H3,(H,34,40)(H,35,39)(H,36,41)/t24-,28-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122988
PNG
(US8742158, EX. 41)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccc2OCOc2c1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C33H41BrN4O7S/c1-22(2)19-38(46(42,43)27-13-11-25(35)12-14-27)26(20-39)8-5-6-16-36-33(41)29(17-23-7-3-4-9-28(23)34)37-32(40)24-10-15-30-31(18-24)45-21-44-30/h3-4,7,9-15,18,22,26,29,39H,5-6,8,16-17,19-21,35H2,1-2H3,(H,36,41)(H,37,40)/t26-,29+/m0/s1
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n/an/a 0.336n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122987
PNG
(US8742158, EX. 46)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1cccnc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C31H40BrN5O5S/c1-22(2)20-37(43(41,42)27-14-12-25(33)13-15-27)26(21-38)10-5-6-17-35-31(40)29(18-23-8-3-4-11-28(23)32)36-30(39)24-9-7-16-34-19-24/h3-4,7-9,11-16,19,22,26,29,38H,5-6,10,17-18,20-21,33H2,1-2H3,(H,35,40)(H,36,39)/t26-,29+/m0/s1
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n/an/a 0.372n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122977
PNG
(US8742158, EX 58)
Show SMILES CN[C@@H](C(C1CC=CC=C1)c1ccccc1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r,c:6,8|
Show InChI InChI=1S/C32H46N4O4S/c1-24(2)22-36(41(39,40)29-19-17-27(33)18-20-29)28(23-37)16-10-11-21-35-32(38)31(34-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-14,17-20,24,26,28,30-31,34,37H,10-11,15-16,21-23,33H2,1-3H3,(H,35,38)/t26?,28-,30?,31-/m0/s1
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n/an/a 0.436n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122978
PNG
(US8742158, EX 61)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)NCC1=CCCN=C1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r,c:25,t:21|
Show InChI InChI=1S/C38H50N6O5S/c1-28(2)26-44(50(48,49)34-20-18-32(39)19-21-34)33(27-45)17-9-10-23-41-37(46)36(43-38(47)42-25-29-12-11-22-40-24-29)35(30-13-5-3-6-14-30)31-15-7-4-8-16-31/h3-8,12-16,18-21,24,28,33,35-36,45H,9-11,17,22-23,25-27,39H2,1-2H3,(H,41,46)(H2,42,43,47)/t33-,36-/m0/s1
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n/an/a 0.465n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122985
PNG
(US8742158, EX. 44)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1cnccn1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C30H39BrN6O5S/c1-21(2)19-37(43(41,42)25-12-10-23(32)11-13-25)24(20-38)8-5-6-14-35-29(39)27(17-22-7-3-4-9-26(22)31)36-30(40)28-18-33-15-16-34-28/h3-4,7,9-13,15-16,18,21,24,27,38H,5-6,8,14,17,19-20,32H2,1-2H3,(H,35,39)(H,36,40)/t24-,27-/m0/s1
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n/an/a 0.471n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10149
PNG
(CHEMBL168640 | lysine sulfonamide analogue 13 | ly...)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-19-17-27(34)18-20-29)28(23-38)16-10-11-21-35-32(39)31(36-33(40)43-3)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15,17-20,24,28,30-31,38H,10-11,16,21-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28?,31-/m0/s1
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n/an/a 0.5n/an/an/an/a4.730



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122993
PNG
(US8742158, EX 36)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ncccc1C)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C32H42BrN5O5S/c1-22(2)20-38(44(42,43)27-15-13-25(34)14-16-27)26(21-39)11-6-7-17-36-31(40)29(19-24-10-4-5-12-28(24)33)37-32(41)30-23(3)9-8-18-35-30/h4-5,8-10,12-16,18,22,26,29,39H,6-7,11,17,19-21,34H2,1-3H3,(H,36,40)(H,37,41)/t26-,29-/m0/s1
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n/an/a 0.503n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122980
PNG
(US8742158, EX. 7)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCC[C@@H](N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(N)=O |r|
Show InChI InChI=1S/C33H43N5O6S/c1-23(2)22-38(45(42,43)27-19-17-26(34)18-20-27)28(31(35)39)16-10-11-21-36-32(40)30(37-33(41)44-3)29(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-9,12-15,17-20,23,28-30H,10-11,16,21-22,34H2,1-3H3,(H2,35,39)(H,36,40)(H,37,41)/t28-,30+/m1/s1
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n/an/a 0.507n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122979
PNG
(US8742158, EX 62)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)NCc1ccncc1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C38H48N6O5S/c1-28(2)26-44(50(48,49)34-18-16-32(39)17-19-34)33(27-45)15-9-10-22-41-37(46)36(43-38(47)42-25-29-20-23-40-24-21-29)35(30-11-5-3-6-12-30)31-13-7-4-8-14-31/h3-8,11-14,16-21,23-24,28,33,35-36,45H,9-10,15,22,25-27,39H2,1-2H3,(H,41,46)(H2,42,43,47)/t33-,36-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599]


(Human immunodeficiency virus type 1)
BDBM10148
PNG
(lysine sulfonamide analogue 12 | methyl N-[(1S)-1-...)
Show SMILES COC(=O)N[C@@H](Cc1ccccc1-c1ccccc1)C(=O)NCCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C33H44N4O6S/c1-24(2)22-37(44(41,42)29-18-16-27(34)17-19-29)28(23-38)14-9-10-20-35-32(39)31(36-33(40)43-3)21-26-13-7-8-15-30(26)25-11-5-4-6-12-25/h4-8,11-13,15-19,24,28,31,38H,9-10,14,20-23,34H2,1-3H3,(H,35,39)(H,36,40)/t28?,31-/m0/s1
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n/an/a 0.521n/an/an/an/a4.730



Ambrilia Biopharma Inc.



Assay Description
HIV-1 protease activity was measured by a continuous fluorometric assay. The proteolytic activity can be monitored by the increase in fluorescence in...


Bioorg Med Chem Lett 16: 3459-62 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.011
BindingDB Entry DOI: 10.7270/Q2RB72T4
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122991
PNG
(US8742158, EX. 40)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ccc(C)nc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C32H42BrN5O5S/c1-22(2)20-38(44(42,43)28-15-13-26(34)14-16-28)27(21-39)9-6-7-17-35-32(41)30(18-24-8-4-5-10-29(24)33)37-31(40)25-12-11-23(3)36-19-25/h4-5,8,10-16,19,22,27,30,39H,6-7,9,17-18,20-21,34H2,1-3H3,(H,35,41)(H,37,40)/t27-,30-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122990
PNG
(US8742158, EX. 39)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1cccnc1C)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C32H42BrN5O5S/c1-22(2)20-38(44(42,43)27-15-13-25(34)14-16-27)26(21-39)10-6-7-17-36-32(41)30(19-24-9-4-5-12-29(24)33)37-31(40)28-11-8-18-35-23(28)3/h4-5,8-9,11-16,18,22,26,30,39H,6-7,10,17,19-21,34H2,1-3H3,(H,36,41)(H,37,40)/t26-,30-/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122983
PNG
(US8742158, EX. 9)
Show SMILES CC(C)CN(C(CCCCNC(=O)[C@H](CC1=C2C=CC=CC2CC=C1)NC(=O)N1CCOCC1)C(N)=O)S(=O)(=O)c1ccc(N)cc1 |r,c:15,17,19,24|
Show InChI InChI=1S/C34H48N6O6S/c1-24(2)23-40(47(44,45)28-15-13-27(35)14-16-28)31(32(36)41)12-5-6-17-37-33(42)30(38-34(43)39-18-20-46-21-19-39)22-26-10-7-9-25-8-3-4-11-29(25)26/h3-4,7-8,10-11,13-16,24-25,30-31H,5-6,9,12,17-23,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t25?,30-,31?/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM123000
PNG
(US8742158, EX 17)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)N1CCOCC1)S(=O)(=O)c1ccc2OCCc2c1 |r|
Show InChI InChI=1S/C32H45BrN4O7S/c1-23(2)21-37(45(41,42)27-10-11-30-25(19-27)12-16-44-30)26(22-38)8-5-6-13-34-31(39)29(20-24-7-3-4-9-28(24)33)35-32(40)36-14-17-43-18-15-36/h3-4,7,9-11,19,23,26,29,38H,5-6,8,12-18,20-22H2,1-2H3,(H,34,39)(H,35,40)/t26-,29-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122996
PNG
(US8742158, EX 18)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1cccc(O)c1C)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C33H43BrN4O6S/c1-22(2)20-38(45(43,44)27-16-14-25(35)15-17-27)26(21-39)10-6-7-18-36-33(42)30(19-24-9-4-5-12-29(24)34)37-32(41)28-11-8-13-31(40)23(28)3/h4-5,8-9,11-17,22,26,30,39-40H,6-7,10,18-21,35H2,1-3H3,(H,36,42)(H,37,41)/t26-,30-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122976
PNG
(US8742158, EX 57)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NS(=O)(=O)c1cccs1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C35H44N4O6S3/c1-26(2)24-39(48(44,45)31-20-18-29(36)19-21-31)30(25-40)16-9-10-22-37-35(41)34(38-47(42,43)32-17-11-23-46-32)33(27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-8,11-15,17-21,23,26,30,33-34,38,40H,9-10,16,22,24-25,36H2,1-2H3,(H,37,41)/t30-,34-/m0/s1
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TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122986
PNG
(US8742158, EX. 45)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](Cc1ccccc1Br)NC(=O)c1ccccn1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C31H40BrN5O5S/c1-22(2)20-37(43(41,42)26-15-13-24(33)14-16-26)25(21-38)10-5-7-18-35-30(39)29(19-23-9-3-4-11-27(23)32)36-31(40)28-12-6-8-17-34-28/h3-4,6,8-9,11-17,22,25,29,38H,5,7,10,18-21,33H2,1-2H3,(H,35,39)(H,36,40)/t25-,29+/m0/s1
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n/an/a 0.615n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122989
PNG
(US8742158, EX. 42)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)C(Cc1ccccc1Br)NC(=O)c1ccncc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C31H40BrN5O5S/c1-22(2)20-37(43(41,42)27-12-10-25(33)11-13-27)26(21-38)8-5-6-16-35-31(40)29(19-24-7-3-4-9-28(24)32)36-30(39)23-14-17-34-18-15-23/h3-4,7,9-15,17-18,22,26,29,38H,5-6,8,16,19-21,33H2,1-2H3,(H,35,40)(H,36,39)/t26-,29?/m0/s1
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n/an/a 0.618n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122980
PNG
(US8742158, EX. 7)
Show SMILES COC(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCCCC[C@@H](N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)C(N)=O |r|
Show InChI InChI=1S/C33H43N5O6S/c1-23(2)22-38(45(42,43)27-19-17-26(34)18-20-27)28(31(35)39)16-10-11-21-36-32(40)30(37-33(41)44-3)29(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-9,12-15,17-20,23,28-30H,10-11,16,21-22,34H2,1-3H3,(H2,35,39)(H,36,40)(H,37,41)/t28-,30+/m1/s1
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n/an/a 0.652n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122994
PNG
(US8742158, EX 37)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)c1ccc(C)c(O)c1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C33H43BrN4O6S/c1-22(2)20-38(45(43,44)28-15-13-26(35)14-16-28)27(21-39)9-6-7-17-36-33(42)30(18-24-8-4-5-10-29(24)34)37-32(41)25-12-11-23(3)31(40)19-25/h4-5,8,10-16,19,22,27,30,39-40H,6-7,9,17-18,20-21,35H2,1-3H3,(H,36,42)(H,37,41)/t27-,30-/m0/s1
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n/an/a 0.683n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122992
PNG
(US8742158, EX. 43)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)C1=NCC(C)N=C1)S(=O)(=O)c1ccc(N)cc1 |r,c:33,t:28|
Show InChI InChI=1S/C31H43BrN6O5S/c1-21(2)19-38(44(42,43)26-13-11-24(33)12-14-26)25(20-39)9-6-7-15-34-30(40)28(16-23-8-4-5-10-27(23)32)37-31(41)29-18-35-22(3)17-36-29/h4-5,8,10-14,18,21-22,25,28,39H,6-7,9,15-17,19-20,33H2,1-3H3,(H,34,40)(H,37,41)/t22?,25-,28-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.836n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122974
PNG
(US8742158, EX 55)
Show SMILES CCC(=O)NC(=O)N(C)CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C36H50N6O7S/c1-5-33(44)40-36(47)41(4)23-34(45)39-32(21-26-13-14-27-10-6-7-11-28(27)20-26)35(46)38-19-9-8-12-30(24-43)42(22-25(2)3)50(48,49)31-17-15-29(37)16-18-31/h6-7,10-11,13-18,20,25,30,32,43H,5,8-9,12,19,21-24,37H2,1-4H3,(H,38,46)(H,39,45)(H,40,44,47)/t30-,32-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.878n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM123002
PNG
(US8742158, EX 32)
Show SMILES COC(=O)N[C@@H](C(C1=CC=CCC1)c1ccccc1)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc2OCCc2c1 |r,c:9,t:7|
Show InChI InChI=1S/C35H47N3O7S/c1-25(2)23-38(46(42,43)30-17-18-31-28(22-30)19-21-45-31)29(24-39)16-10-11-20-36-34(40)33(37-35(41)44-3)32(26-12-6-4-7-13-26)27-14-8-5-9-15-27/h4-8,12-14,17-18,22,25,29,32-33,39H,9-11,15-16,19-21,23-24H2,1-3H3,(H,36,40)(H,37,41)/t29-,32?,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.899n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
Gag-Pol polyprotein [489-587,G537V,H558K,V571A]


(Human immunodeficiency virus)
BDBM122995
PNG
(US8742158, EX 38)
Show SMILES CC(C)CN([C@H](CO)CCCCNC(=O)[C@H](Cc1ccccc1Br)NC(=O)OCc1ccncc1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C32H42BrN5O6S/c1-23(2)20-38(45(42,43)28-12-10-26(34)11-13-28)27(21-39)8-5-6-16-36-31(40)30(19-25-7-3-4-9-29(25)33)37-32(41)44-22-24-14-17-35-18-15-24/h3-4,7,9-15,17-18,23,27,30,39H,5-6,8,16,19-22,34H2,1-2H3,(H,36,40)(H,37,41)/t27-,30-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.920n/an/an/an/an/an/a



TaiMed Biologies, Inc.

US Patent


Assay Description
This is a fluorometric assay based on the cleavage by protease of a substrate carrying a donor group (EDANS) and an acceptor group (DABCYL) on each s...


US Patent US8742158 (2014)


BindingDB Entry DOI: 10.7270/Q27H1H7P
More data for this
Ligand-Target Pair
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