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Patent code US10125148

Compile Data Set for Download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299225
PNG
(US10125148, Example 19)
Show SMILES C[C@H]1CC\C=C/OC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2cc(C)ccc2O1
Show InChI InChI=1S/C38H46N4O5/c1-24-14-15-31-29(21-24)27-12-10-13-28(22-27)30-23-32-39-26(3)33(34(36(43)44)47-37(4,5)6)35(42(32)40-30)41-18-16-38(7,17-19-41)45-20-9-8-11-25(2)46-31/h9-10,12-15,20-23,25,34H,8,11,16-19H2,1-7H3,(H,43,44)/b20-9-/t25-,34-/m0/s1
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n/an/an/an/a 33n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299213
PNG
(US10125148, Example 10)
Show SMILES C[C@H]1CCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2ccc(F)cc2O1
Show InChI InChI=1S/C36H43FN4O5/c1-22-9-8-18-44-36(6)14-16-40(17-15-36)33-31(32(34(42)43)46-35(3,4)5)23(2)38-30-21-28(39-41(30)33)25-11-7-10-24(19-25)27-13-12-26(37)20-29(27)45-22/h7,10-13,19-22,32H,8-9,14-18H2,1-6H3,(H,42,43)/t22-,32-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299228
PNG
(US10125148, Example 22)
Show SMILES CC1C\C=C\CCC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2cc(ccc2O1)[N+]#[C-]
Show InChI InChI=1S/C39H45N5O4/c1-25-12-9-8-10-17-39(6)18-20-43(21-19-39)36-34(35(37(45)46)48-38(3,4)5)26(2)41-33-24-31(42-44(33)36)28-14-11-13-27(22-28)30-23-29(40-7)15-16-32(30)47-25/h8-9,11,13-16,22-25,35H,10,12,17-21H2,1-6H3,(H,45,46)/b9-8+/t25?,35-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299229
PNG
(US10125148, Example 23 | US10125148, Example 24)
Show SMILES CC1CCCCCC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2cc(ccc2O1)C(N)=O
Show InChI InChI=1S/C39H49N5O5/c1-24-11-8-7-9-16-39(6)17-19-43(20-18-39)36-33(34(37(46)47)49-38(3,4)5)25(2)41-32-23-30(42-44(32)36)27-13-10-12-26(21-27)29-22-28(35(40)45)14-15-31(29)48-24/h10,12-15,21-24,34H,7-9,11,16-20H2,1-6H3,(H2,40,45)(H,46,47)/t24?,34-/m0/s1
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n/an/an/an/a 24n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299232
PNG
(US10125148, Example 26)
Show SMILES C[C@H]1CCCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cc(ccc2F)-c2ccc(F)cc2O1
Show InChI InChI=1S/C37H44F2N4O5/c1-22-9-7-8-18-46-37(6)14-16-42(17-15-37)34-32(33(35(44)45)48-36(3,4)5)23(2)40-31-21-29(41-43(31)34)27-19-24(10-13-28(27)39)26-12-11-25(38)20-30(26)47-22/h10-13,19-22,33H,7-9,14-18H2,1-6H3,(H,44,45)/t22-,33-/m0/s1
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n/an/an/an/a 49n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299219
PNG
(US10125148, Example 15)
Show SMILES C[C@@H]1Oc2cc(C)ccc2-c2cccc(c2)-c2cc3nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(N4CCC(C)(CC4)OC\C=C\1)n3n2
Show InChI InChI=1S/C37H44N4O5/c1-23-13-14-28-26-11-8-12-27(21-26)29-22-31-38-25(3)32(33(35(42)43)46-36(4,5)6)34(41(31)39-29)40-17-15-37(7,16-18-40)44-19-9-10-24(2)45-30(28)20-23/h8-14,20-22,24,33H,15-19H2,1-7H3,(H,42,43)/b10-9+/t24-,33-/m0/s1
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n/an/an/an/a 8n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299233
PNG
(US10125148, Example 27)
Show SMILES C[C@H]1CCCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cc(F)cc(c2)-c2ccc(F)cc2O1
Show InChI InChI=1S/C37H44F2N4O5/c1-22-9-7-8-16-46-37(6)12-14-42(15-13-37)34-32(33(35(44)45)48-36(3,4)5)23(2)40-31-21-29(41-43(31)34)25-17-24(18-27(39)19-25)28-11-10-26(38)20-30(28)47-22/h10-11,17-22,33H,7-9,12-16H2,1-6H3,(H,44,45)/t22-,33-/m0/s1
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n/an/an/an/a 45n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299205
PNG
(US10125148, Example 3)
Show SMILES C[C@H]1CCCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2c(F)cc(F)cc2O1
Show InChI InChI=1S/C37H44F2N4O5/c1-22-10-7-8-17-46-37(6)13-15-42(16-14-37)34-31(33(35(44)45)48-36(3,4)5)23(2)40-30-21-28(41-43(30)34)24-11-9-12-25(18-24)32-27(39)19-26(38)20-29(32)47-22/h9,11-12,18-22,33H,7-8,10,13-17H2,1-6H3,(H,44,45)/t22-,33-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299212
PNG
(US10125148, Example 9)
Show SMILES C[C@@H]1Oc2cc(F)ccc2-c2cccc(c2)-c2cc3nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(N4CCC(C)(CC4)OC\C=C\1)n3n2
Show InChI InChI=1S/C36H41FN4O5/c1-22-9-8-18-44-36(6)14-16-40(17-15-36)33-31(32(34(42)43)46-35(3,4)5)23(2)38-30-21-28(39-41(30)33)25-11-7-10-24(19-25)27-13-12-26(37)20-29(27)45-22/h7-13,19-22,32H,14-18H2,1-6H3,(H,42,43)/b9-8+/t22-,32-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299231
PNG
(US10125148, Example 25)
Show SMILES C[C@H]1CCCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2cc(ccc2O1)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C44H59N5O6/c1-28-13-10-11-24-53-44(9)19-22-48(23-20-44)40-37(38(41(51)52)55-43(6,7)8)29(2)46-36-27-34(47-49(36)40)31-15-12-14-30(25-31)33-26-32(16-17-35(33)54-28)39(50)45-21-18-42(3,4)5/h12,14-17,25-28,38H,10-11,13,18-24H2,1-9H3,(H,45,50)(H,51,52)/t28-,38-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299211
PNG
(US10125148, Example 8)
Show SMILES COc1ccc2O[C@@H](C)CCCCCOC3(C)CCN(CC3)c3c([C@H](OC(C)(C)C)C(O)=O)c(C)nc4cc(nn34)-c3cccc(c3)-c2c1
Show InChI InChI=1S/C39H50N4O6/c1-25-12-9-8-10-21-47-39(6)17-19-42(20-18-39)36-34(35(37(44)45)49-38(3,4)5)26(2)40-33-24-31(41-43(33)36)28-14-11-13-27(22-28)30-23-29(46-7)15-16-32(30)48-25/h11,13-16,22-25,35H,8-10,12,17-21H2,1-7H3,(H,44,45)/t25-,35-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299214
PNG
(US10125148, Example 11)
Show SMILES C[C@@H]1Oc2ccc(C)c(F)c2-c2cccc(c2)-c2cc3nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(N4CCC(C)(CC4)OC\C=C\1)n3n2
Show InChI InChI=1S/C37H43FN4O5/c1-22-13-14-28-31(32(22)38)26-12-8-11-25(20-26)27-21-29-39-24(3)30(33(35(43)44)47-36(4,5)6)34(42(29)40-27)41-17-15-37(7,16-18-41)45-19-9-10-23(2)46-28/h8-14,20-21,23,33H,15-19H2,1-7H3,(H,43,44)/b10-9+/t23-,33-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299223
PNG
(US10125148, Example 17)
Show SMILES C[C@@H]1Oc2cc(C)cc(F)c2-c2cccc(c2)-c2cc3nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(N4CCC(C)(CC4)OC\C=C\1)n3n2
Show InChI InChI=1S/C37H43FN4O5/c1-22-18-27(38)32-26-12-8-11-25(20-26)28-21-30-39-24(3)31(33(35(43)44)47-36(4,5)6)34(42(30)40-28)41-15-13-37(7,14-16-41)45-17-9-10-23(2)46-29(32)19-22/h8-12,18-21,23,33H,13-17H2,1-7H3,(H,43,44)/b10-9+/t23-,33-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299210
PNG
(US10125148, Example 7)
Show SMILES CCc1ccc2O[C@@H](C)CCCCOC3(C)CCN(CC3)c3c([C@H](OC(C)(C)C)C(O)=O)c(C)nc4cc(nn34)-c3cccc(c3)-c2c1
Show InChI InChI=1S/C39H50N4O5/c1-8-27-15-16-32-30(22-27)28-13-11-14-29(23-28)31-24-33-40-26(3)34(35(37(44)45)48-38(4,5)6)36(43(33)41-31)42-19-17-39(7,18-20-42)46-21-10-9-12-25(2)47-32/h11,13-16,22-25,35H,8-10,12,17-21H2,1-7H3,(H,44,45)/t25-,35-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299217
PNG
(US10125148, Example 13)
Show SMILES C[C@@H]1Oc2ccc(F)cc2-c2cccc(c2)-c2cc3nc(C)c([C@H](OC(C)(C)C)C(O)=O)c(N4CCC(C)(CC4)OC\C=C\1)n3n2
Show InChI InChI=1S/C36H41FN4O5/c1-22-9-8-18-44-36(6)14-16-40(17-15-36)33-31(32(34(42)43)46-35(3,4)5)23(2)38-30-21-28(39-41(30)33)25-11-7-10-24(19-25)27-20-26(37)12-13-29(27)45-22/h7-13,19-22,32H,14-18H2,1-6H3,(H,42,43)/b9-8+/t22-,32-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299234
PNG
(US10125148, Example 28n.d.)
Show SMILES C[C@H]1CCCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2ccc(F)c(c2)-c2ccc(F)cc2O1
Show InChI InChI=1S/C37H44F2N4O5/c1-22-9-7-8-18-46-37(6)14-16-42(17-15-37)34-32(33(35(44)45)48-36(3,4)5)23(2)40-31-21-29(41-43(31)34)24-10-13-28(39)27(19-24)26-12-11-25(38)20-30(26)47-22/h10-13,19-22,33H,7-9,14-18H2,1-6H3,(H,44,45)/t22-,33-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299203
PNG
(US10125148, Example 1)
Show SMILES C[C@H]1CCCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2cc(ccc2O1)C(F)(F)F
Show InChI InChI=1S/C38H45F3N4O5/c1-23-10-7-8-19-48-37(6)15-17-44(18-16-37)34-32(33(35(46)47)50-36(3,4)5)24(2)42-31-22-29(43-45(31)34)26-12-9-11-25(20-26)28-21-27(38(39,40)41)13-14-30(28)49-23/h9,11-14,20-23,33H,7-8,10,15-19H2,1-6H3,(H,46,47)/t23-,33-/m0/s1
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n/an/an/an/a 39n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299206
PNG
(US10125148, Example 4)
Show SMILES C[C@H]1C\C=C\COC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2c(F)cc(C)cc2O1
Show InChI InChI=1S/C38H45FN4O5/c1-23-19-28(39)33-27-13-10-12-26(21-27)29-22-31-40-25(3)32(34(36(44)45)48-37(4,5)6)35(43(31)41-29)42-16-14-38(7,15-17-42)46-18-9-8-11-24(2)47-30(33)20-23/h8-10,12-13,19-22,24,34H,11,14-18H2,1-7H3,(H,44,45)/b9-8+/t24-,34-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299208
PNG
(US10125148, Example 5)
Show SMILES C[C@H]1CCCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2c(F)cc(C)cc2O1
Show InChI InChI=1S/C38H47FN4O5/c1-23-19-28(39)33-27-13-10-12-26(21-27)29-22-31-40-25(3)32(34(36(44)45)48-37(4,5)6)35(43(31)41-29)42-16-14-38(7,15-17-42)46-18-9-8-11-24(2)47-30(33)20-23/h10,12-13,19-22,24,34H,8-9,11,14-18H2,1-7H3,(H,44,45)/t24-,34-/m0/s1
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ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299209
PNG
(US10125148, Example 6)
Show SMILES CCc1ccc2O[C@@H](C)C\C=C\COC3(C)CCN(CC3)c3c([C@H](OC(C)(C)C)C(O)=O)c(C)nc4cc(nn34)-c3cccc(c3)-c2c1
Show InChI InChI=1S/C39H48N4O5/c1-8-27-15-16-32-30(22-27)28-13-11-14-29(23-28)31-24-33-40-26(3)34(35(37(44)45)48-38(4,5)6)36(43(33)41-31)42-19-17-39(7,18-20-42)46-21-10-9-12-25(2)47-32/h9-11,13-16,22-25,35H,8,12,17-21H2,1-7H3,(H,44,45)/b10-9+/t25-,35-/m0/s1
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ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299218
PNG
(US10125148, Example 14)
Show SMILES C[C@H]1CCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2cc(F)ccc2O1
Show InChI InChI=1S/C36H43FN4O5/c1-22-9-8-18-44-36(6)14-16-40(17-15-36)33-31(32(34(42)43)46-35(3,4)5)23(2)38-30-21-28(39-41(30)33)25-11-7-10-24(19-25)27-20-26(37)12-13-29(27)45-22/h7,10-13,19-22,32H,8-9,14-18H2,1-6H3,(H,42,43)/t22-,32-/m0/s1
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ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299222
PNG
(US10125148, Example 16)
Show SMILES C[C@H]1CCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2ccc(C)cc2O1
Show InChI InChI=1S/C37H46N4O5/c1-23-13-14-28-26-11-8-12-27(21-26)29-22-31-38-25(3)32(33(35(42)43)46-36(4,5)6)34(41(31)39-29)40-17-15-37(7,16-18-40)44-19-9-10-24(2)45-30(28)20-23/h8,11-14,20-22,24,33H,9-10,15-19H2,1-7H3,(H,42,43)/t24-,33-/m0/s1
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ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299227
PNG
(US10125148, Example 21)
Show SMILES CC1CCCCCC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2cc(C)ccc2O1
Show InChI InChI=1S/C39H50N4O4/c1-25-15-16-32-30(22-25)28-13-11-14-29(23-28)31-24-33-40-27(3)34(35(37(44)45)47-38(4,5)6)36(43(33)41-31)42-20-18-39(7,19-21-42)17-10-8-9-12-26(2)46-32/h11,13-16,22-24,26,35H,8-10,12,17-21H2,1-7H3,(H,44,45)/t26?,35-/m0/s1
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ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299229
PNG
(US10125148, Example 23 | US10125148, Example 24)
Show SMILES CC1CCCCCC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2cc(ccc2O1)C(N)=O
Show InChI InChI=1S/C39H49N5O5/c1-24-11-8-7-9-16-39(6)17-19-43(20-18-39)36-33(34(37(46)47)49-38(3,4)5)25(2)41-32-23-30(42-44(32)36)27-13-10-12-26(21-27)29-22-28(35(40)45)14-15-31(29)48-24/h10,12-15,21-24,34H,7-9,11,16-20H2,1-6H3,(H2,40,45)(H,46,47)/t24?,34-/m0/s1
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ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299215
PNG
(US10125148, Example 12)
Show SMILES C[C@H]1CCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2c(O1)ccc(C)c2F
Show InChI InChI=1S/C37H45FN4O5/c1-22-13-14-28-31(32(22)38)26-12-8-11-25(20-26)27-21-29-39-24(3)30(33(35(43)44)47-36(4,5)6)34(42(29)40-27)41-17-15-37(7,16-18-41)45-19-9-10-23(2)46-28/h8,11-14,20-21,23,33H,9-10,15-19H2,1-7H3,(H,43,44)/t23-,33-/m0/s1
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ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299224
PNG
(US10125148, Example 18)
Show SMILES C[C@H]1CCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2c(F)cc(C)cc2O1
Show InChI InChI=1S/C37H45FN4O5/c1-22-18-27(38)32-26-12-8-11-25(20-26)28-21-30-39-24(3)31(33(35(43)44)47-36(4,5)6)34(42(30)40-28)41-15-13-37(7,14-16-41)45-17-9-10-23(2)46-29(32)19-22/h8,11-12,18-21,23,33H,9-10,13-17H2,1-7H3,(H,43,44)/t23-,33-/m0/s1
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ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299204
PNG
(US10125148, Example 2)
Show SMILES C[C@H]1CCCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2cc(F)c(F)cc2O1
Show InChI InChI=1S/C37H44F2N4O5/c1-22-10-7-8-17-46-37(6)13-15-42(16-14-37)34-32(33(35(44)45)48-36(3,4)5)23(2)40-31-21-29(41-43(31)34)25-12-9-11-24(18-25)26-19-27(38)28(39)20-30(26)47-22/h9,11-12,18-22,33H,7-8,10,13-17H2,1-6H3,(H,44,45)/t22-,33-/m0/s1
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ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM299226
PNG
(US10125148, Example 20)
Show SMILES CC1C\C=C\CCC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)nc3cc(nn23)-c2cccc(c2)-c2cc(C)ccc2O1
Show InChI InChI=1S/C39H48N4O4/c1-25-15-16-32-30(22-25)28-13-11-14-29(23-28)31-24-33-40-27(3)34(35(37(44)45)47-38(4,5)6)36(43(33)41-31)42-20-18-39(7,19-21-42)17-10-8-9-12-26(2)46-32/h8-9,11,13-16,22-24,26,35H,10,12,17-21H2,1-7H3,(H,44,45)/b9-8+/t26?,35-/m0/s1
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ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
Inhibition of HIV replication. A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renill...


US Patent US10125148 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%