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Compile Data Set for Download or QSAR

Found 489 hits of ec50 data for polymerid = 429   
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...)
BDBM271389
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[2- (benzyl...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CCNCc2ccccc2)CC1=O
Show InChI InChI=1S/C44H65NO5/c1-28(2)36-31(46)25-44(23-24-45-27-29-13-11-10-12-14-29)22-21-42(8)30(37(36)44)15-16-33-41(7)19-18-34(50-35(47)26-39(3,4)38(48)49)40(5,6)32(41)17-20-43(33,42)9/h10-14,28,30,32-34,45H,15-27H2,1-9H3,(H,48,49)/t30-,32+,33-,34+,41+,42-,43-,44-/m1/s1
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n/an/an/an/a 0.5n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271449
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {b...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)Cc1ccccc1
Show InChI InChI=1S/C48H74N2O6/c1-31(2)40-34(51)27-48(37(52)30-50(26-25-49(10)11)29-32-15-13-12-14-16-32)24-23-46(8)33(41(40)48)17-18-36-45(7)21-20-38(56-39(53)28-43(3,4)42(54)55)44(5,6)35(45)19-22-47(36,46)9/h12-16,31,33,35-38,52H,17-30H2,1-11H3,(H,54,55)/t33-,35+,36-,37+,38+,45+,46-,47-,48+/m1/s1
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n/an/an/an/a 0.600n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271450
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)Cc1ccc(F)cc1
Show InChI InChI=1S/C48H73FN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(25-24-50(10)11)28-31-12-14-32(49)15-13-31)23-22-46(8)33(41(40)48)16-17-36-45(7)20-19-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)18-21-47(36,46)9/h12-15,30,33,35-38,53H,16-29H2,1-11H3,(H,55,56)/t33-,35+,36-,37+,38+,45+,46-,47-,48+/m1/s1
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n/an/an/an/a 0.700n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271401
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(25-24-50(10)11)28-31-12-14-32(49)15-13-31)23-22-46(8)33(41(40)48)16-17-36-45(7)20-19-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)18-21-47(36,46)9/h12-15,30,33,35-38,53H,16-29H2,1-11H3,(H,55,56)/t33-,35+,36-,37+,38+,45+,46-,47-,48+/m1/s1
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n/an/an/an/a 0.800n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM304064
PNG
(US10138253, Example 1)
Show SMILES C[C@H]1COCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)cc3nc(cn23)-c2cccc(c2)-c2cc(F)c(F)cc2O1
Show InChI InChI=1S/C37H43F2N3O6/c1-22-16-31-40-29-20-42(31)34(32(22)33(35(43)44)48-36(3,4)5)41-12-10-37(6,11-13-41)46-15-14-45-21-23(2)47-30-19-28(39)27(38)18-26(30)24-8-7-9-25(29)17-24/h7-9,16-20,23,33H,10-15,21H2,1-6H3,(H,43,44)/t23-,33-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...


US Patent US10138253 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM304091
PNG
(US10138253, Example 29)
Show SMILES C[C@H]1COCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)c(C)c3nc(c(Cl)n23)-c2cccc(c2)-c2cc(F)ccc2O1
Show InChI InChI=1S/C38H45ClFN3O6/c1-22-21-46-17-18-47-38(7)13-15-42(16-14-38)35-30(32(36(44)45)49-37(4,5)6)23(2)24(3)34-41-31(33(39)43(34)35)26-10-8-9-25(19-26)28-20-27(40)11-12-29(28)48-22/h8-12,19-20,22,32H,13-18,21H2,1-7H3,(H,44,45)/t22-,32-/m0/s1
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ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...


US Patent US10138253 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271443
PNG
(4- (((3aR,5aR,5bR,7aR,9S, 11aR,11bR,13aS)-3a- ((S)...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](O)CN(CCN(C)C)Cc1ccccc1
Show InChI InChI=1S/C48H74N2O6/c1-31(2)40-34(51)27-48(37(52)30-50(26-25-49(10)11)29-32-15-13-12-14-16-32)24-23-46(8)33(41(40)48)17-18-36-45(7)21-20-38(56-39(53)28-43(3,4)42(54)55)44(5,6)35(45)19-22-47(36,46)9/h12-16,31,33,35-38,52H,17-30H2,1-11H3,(H,54,55)/t33-,35+,36-,37-,38+,45+,46-,47-,48+/m1/s1
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271426
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)Cc1ccccc1Cl
Show InChI InChI=1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(25-24-50(10)11)28-31-14-12-13-15-33(31)49)23-22-46(8)32(41(40)48)16-17-36-45(7)20-19-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)18-21-47(36,46)9/h12-15,30,32,35-38,53H,16-29H2,1-11H3,(H,55,56)/t32-,35+,36-,37+,38+,45+,46-,47-,48+/m1/s1
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n/an/an/an/a 1.10n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271396
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-(2-{N-[(4- ...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CCN(Cc2ccc(Cl)cc2)C(C)=O)CC1=O
Show InChI InChI=1S/C46H66ClNO6/c1-28(2)38-33(50)25-46(23-24-48(29(3)49)27-30-11-13-31(47)14-12-30)22-21-44(9)32(39(38)46)15-16-35-43(8)19-18-36(54-37(51)26-41(4,5)40(52)53)42(6,7)34(43)17-20-45(35,44)10/h11-14,28,32,34-36H,15-27H2,1-10H3,(H,52,53)/t32-,34+,35-,36+,43+,44-,45-,46-/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271444
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1S)-1- (a...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](CN(CCN(C)C)Cc1ccc(F)cc1)OC(C)=O
Show InChI InChI=1S/C50H75FN2O7/c1-31(2)42-36(55)27-50(40(59-32(3)54)30-53(26-25-52(11)12)29-33-13-15-34(51)16-14-33)24-23-48(9)35(43(42)50)17-18-38-47(8)21-20-39(60-41(56)28-45(4,5)44(57)58)46(6,7)37(47)19-22-49(38,48)10/h13-16,31,35,37-40H,17-30H2,1-12H3,(H,57,58)/t35-,37+,38-,39+,40-,47+,48-,49-,50+/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271421
PNG
(4- (((3aR,5aR,5bR,7aR,9S, 11aR,11bR,13aS)-3a- ((S)...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](O)CN(CCN(C)C)Cc1cccc(Cl)c1
Show InChI InChI=1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(24-23-50(10)11)28-31-13-12-14-32(49)25-31)22-21-46(8)33(41(40)48)15-16-36-45(7)19-18-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)17-20-47(36,46)9/h12-14,25,30,33,35-38,53H,15-24,26-29H2,1-11H3,(H,55,56)/t33-,35+,36-,37-,38+,45+,46-,47-,48+/m1/s1
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n/an/an/an/a 1.80n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271422
PNG
(4- (((3aR,5aR,5bR,7aR, 9S,11aR,11bR,13aS)- 3a-((R)...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)Cc1cccc(Cl)c1
Show InChI InChI=1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(24-23-50(10)11)28-31-13-12-14-32(49)25-31)22-21-46(8)33(41(40)48)15-16-36-45(7)19-18-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)17-20-47(36,46)9/h12-14,25,30,33,35-38,53H,15-24,26-29H2,1-11H3,(H,55,56)/t33-,35+,36-,37+,38+,45+,46-,47-,48+/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM304087
PNG
(US10138253, Example 25)
Show SMILES C[C@H]1COCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)cc3nc(cn23)-c2cccc(c2)-c2cc(C)ccc2O1
Show InChI InChI=1S/C38H47N3O6/c1-24-11-12-31-29(19-24)27-9-8-10-28(21-27)30-22-41-32(39-30)20-25(2)33(34(36(42)43)47-37(4,5)6)35(41)40-15-13-38(7,14-16-40)45-18-17-44-23-26(3)46-31/h8-12,19-22,26,34H,13-18,23H2,1-7H3,(H,42,43)/t26-,34-/m0/s1
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ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...


US Patent US10138253 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM304083
PNG
(US10138253, Example 21)
Show SMILES C[C@H]1COCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)c(C)c3nc(c(Cl)n23)-c2cccc(c2)-c2c(F)cc(C)cc2O1
Show InChI InChI=1S/C39H47ClFN3O6/c1-22-18-28(41)31-26-10-9-11-27(20-26)32-34(40)44-35(42-32)25(4)24(3)30(33(37(45)46)50-38(5,6)7)36(44)43-14-12-39(8,13-15-43)48-17-16-47-21-23(2)49-29(31)19-22/h9-11,18-20,23,33H,12-17,21H2,1-8H3,(H,45,46)/t23-,33-/m0/s1
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ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...


US Patent US10138253 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM304069
PNG
(US10138253, Example 6)
Show SMILES C[C@H]1COCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)c(CO)c3nc(cn23)-c2cccc(c2)-c2cc(F)c(F)cc2O1
Show InChI InChI=1S/C38H45F2N3O7/c1-22-21-47-14-15-48-38(6)10-12-42(13-11-38)35-32(33(36(45)46)50-37(3,4)5)23(2)27(20-44)34-41-30(19-43(34)35)25-9-7-8-24(16-25)26-17-28(39)29(40)18-31(26)49-22/h7-9,16-19,22,33,44H,10-15,20-21H2,1-6H3,(H,45,46)/t22-,33-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...


US Patent US10138253 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM304079
PNG
(US10138253, Example 16)
Show SMILES CC(O)c1c(C)c([C@H](OC(C)(C)C)C(O)=O)c2N3CCC(C)(CC3)OCCOC[C@H](C)Oc3cc(F)c(F)cc3-c3cccc(c3)-c3cn2c1n3
Show InChI InChI=1S/C39H47F2N3O7/c1-22-21-48-15-16-49-39(7)11-13-43(14-12-39)36-33(34(37(46)47)51-38(4,5)6)23(2)32(24(3)45)35-42-30(20-44(35)36)26-10-8-9-25(17-26)27-18-28(40)29(41)19-31(27)50-22/h8-10,17-20,22,24,34,45H,11-16,21H2,1-7H3,(H,46,47)/t22-,24?,34-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...


US Patent US10138253 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271397
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CNCc1ccc(Cl)cc1
Show InChI InChI=1S/C44H64ClNO6/c1-26(2)36-30(47)22-44(33(48)25-46-24-27-10-12-28(45)13-11-27)21-20-42(8)29(37(36)44)14-15-32-41(7)18-17-34(52-35(49)23-39(3,4)38(50)51)40(5,6)31(41)16-19-43(32,42)9/h10-13,26,29,31-34,46,48H,14-25H2,1-9H3,(H,50,51)/t29-,31+,32-,33+,34+,41+,42-,43-,44+/m1/s1
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n/an/an/an/a 2.10n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271452
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1S)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](O)CN(CCN(C)C)Cc1ccc(F)cc1
Show InChI InChI=1S/C48H73FN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(25-24-50(10)11)28-31-12-14-32(49)15-13-31)23-22-46(8)33(41(40)48)16-17-36-45(7)20-19-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)18-21-47(36,46)9/h12-15,30,33,35-38,53H,16-29H2,1-11H3,(H,55,56)/t33-,35+,36-,37-,38+,45+,46-,47-,48+/m1/s1
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n/an/an/an/a 2.10n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271393
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-(2-{[(4- ch...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CCN(CCN(C)C)Cc2ccc(Cl)cc2)CC1=O
Show InChI InChI=1S/C48H73ClN2O5/c1-31(2)40-35(52)28-48(24-25-51(27-26-50(10)11)30-32-12-14-33(49)15-13-32)23-22-46(8)34(41(40)48)16-17-37-45(7)20-19-38(56-39(53)29-43(3,4)42(54)55)44(5,6)36(45)18-21-47(37,46)9/h12-15,31,34,36-38H,16-30H2,1-11H3,(H,54,55)/t34-,36+,37-,38+,45+,46-,47-,48-/m1/s1
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n/an/an/an/a 2.30n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271403
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1S)-1- (a...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](CN(CCN(C)C)Cc1ccc(Cl)cc1)OC(C)=O
Show InChI InChI=1S/C50H75ClN2O7/c1-31(2)42-36(55)27-50(40(59-32(3)54)30-53(26-25-52(11)12)29-33-13-15-34(51)16-14-33)24-23-48(9)35(43(42)50)17-18-38-47(8)21-20-39(60-41(56)28-45(4,5)44(57)58)46(6,7)37(47)19-22-49(38,48)10/h13-16,31,35,37-40H,17-30H2,1-12H3,(H,57,58)/t35-,37+,38-,39+,40-,47+,48-,49-,50+/m1/s1
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n/an/an/an/a 2.30n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271454
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C48H72Cl2N2O6/c1-29(2)40-34(53)25-48(37(54)28-52(23-22-51(10)11)27-30-12-13-31(49)24-33(30)50)21-20-46(8)32(41(40)48)14-15-36-45(7)18-17-38(58-39(55)26-43(3,4)42(56)57)44(5,6)35(45)16-19-47(36,46)9/h12-13,24,29,32,35-38,54H,14-23,25-28H2,1-11H3,(H,56,57)/t32-,35+,36-,37+,38+,45+,46-,47-,48+/m1/s1
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n/an/an/an/a 2.40n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271388
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-(2-{[(4- ch...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CCNCc2ccc(Cl)cc2)CC1=O
Show InChI InChI=1S/C44H64ClNO5/c1-27(2)36-31(47)24-44(22-23-46-26-28-10-12-29(45)13-11-28)21-20-42(8)30(37(36)44)14-15-33-41(7)18-17-34(51-35(48)25-39(3,4)38(49)50)40(5,6)32(41)16-19-43(33,42)9/h10-13,27,30,32-34,46H,14-26H2,1-9H3,(H,49,50)/t30-,32+,33-,34+,41+,42-,43-,44-/m1/s1
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n/an/an/an/a 2.60n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271448
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1S)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](O)CN(CCN(C)C)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C48H72Cl2N2O6/c1-29(2)40-34(53)25-48(37(54)28-52(23-22-51(10)11)27-30-12-13-31(49)24-33(30)50)21-20-46(8)32(41(40)48)14-15-36-45(7)18-17-38(58-39(55)26-43(3,4)42(56)57)44(5,6)35(45)16-19-47(36,46)9/h12-13,24,29,32,35-38,54H,14-23,25-28H2,1-11H3,(H,56,57)/t32-,35+,36-,37-,38+,45+,46-,47-,48+/m1/s1
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n/an/an/an/a 2.90n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271455
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2-[1-...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C48H71ClN2O7/c1-29(2)39-33(52)26-48(36(53)28-51(25-24-50(10)11)41(55)30-12-14-31(49)15-13-30)23-22-46(8)32(40(39)48)16-17-35-45(7)20-19-37(58-38(54)27-43(3,4)42(56)57)44(5,6)34(45)18-21-47(35,46)9/h12-15,29,32,34-37,53H,16-28H2,1-11H3,(H,56,57)/t32-,34+,35-,36+,37+,45+,46-,47-,48+/m1/s1
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (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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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...)
BDBM271437
PNG
(4- (((3aR,5aR,5bR,7aR,9S, 11aR,11bR,13aS)-3a- ((R)...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN1CCc2ccccc2C1
Show InChI InChI=1S/C46H67NO6/c1-28(2)38-32(48)24-46(35(49)27-47-23-18-29-12-10-11-13-30(29)26-47)22-21-44(8)31(39(38)46)14-15-34-43(7)19-17-36(53-37(50)25-41(3,4)40(51)52)42(5,6)33(43)16-20-45(34,44)9/h10-13,28,31,33-36,49H,14-27H2,1-9H3,(H,51,52)/t31-,33+,34-,35+,36+,43+,44-,45-,46+/m1/s1
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n/an/an/an/a 3.20n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271405
PNG
(5- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C49H75ClN2O6/c1-31(2)42-35(53)26-49(38(54)30-52(25-24-51(10)11)29-32-12-14-33(50)15-13-32)23-22-47(8)34(43(42)49)16-17-37-46(7)20-19-39(45(5,6)36(46)18-21-48(37,47)9)58-41(57)28-44(3,4)27-40(55)56/h12-15,31,34,36-39,54H,16-30H2,1-11H3,(H,55,56)/t34-,36+,37-,38+,39+,46+,47-,48-,49+/m1/s1
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271430
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(CCN(C)C)Cc1cccc(Cl)c1F
Show InChI InChI=1S/C48H72ClFN2O6/c1-29(2)39-33(53)25-48(36(54)28-52(24-23-51(10)11)27-30-13-12-14-32(49)41(30)50)22-21-46(8)31(40(39)48)15-16-35-45(7)19-18-37(58-38(55)26-43(3,4)42(56)57)44(5,6)34(45)17-20-47(35,46)9/h12-14,29,31,34-37,54H,15-28H2,1-11H3,(H,56,57)/t31-,34+,35-,36+,37+,45+,46-,47-,48+/m1/s1
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271427
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1S)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](O)CN(CCN(C)C)Cc1ccccc1Cl
Show InChI InChI=1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(25-24-50(10)11)28-31-14-12-13-15-33(31)49)23-22-46(8)32(41(40)48)16-17-36-45(7)20-19-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)18-21-47(36,46)9/h12-15,30,32,35-38,53H,16-29H2,1-11H3,(H,55,56)/t32-,35+,36-,37-,38+,45+,46-,47-,48+/m1/s1
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GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271402
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1S)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](O)CN(CCN(C)C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C48H73ClN2O6/c1-30(2)40-34(52)26-48(37(53)29-51(25-24-50(10)11)28-31-12-14-32(49)15-13-31)23-22-46(8)33(41(40)48)16-17-36-45(7)20-19-38(57-39(54)27-43(3,4)42(55)56)44(5,6)35(45)18-21-47(36,46)9/h12-15,30,33,35-38,53H,16-29H2,1-11H3,(H,55,56)/t33-,35+,36-,37-,38+,45+,46-,47-,48+/m1/s1
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n/an/an/an/a 3.90n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (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 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...)
BDBM271416
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1S)-1- (a...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](CN(CCN(C)C)Cc1ccccc1Cl)OC(C)=O
Show InChI InChI=1S/C50H75ClN2O7/c1-31(2)42-36(55)27-50(40(59-32(3)54)30-53(26-25-52(11)12)29-33-15-13-14-16-35(33)51)24-23-48(9)34(43(42)50)17-18-38-47(8)21-20-39(60-41(56)28-45(4,5)44(57)58)46(6,7)37(47)19-22-49(38,48)10/h13-16,31,34,37-40H,17-30H2,1-12H3,(H,57,58)/t34-,37+,38-,39+,40-,47+,48-,49-,50+/m1/s1
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n/an/an/an/a 4n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (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...)
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...)
BDBM271431
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1S)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](O)CN(CCN(C)C)Cc1cccc(Cl)c1F
Show InChI InChI=1S/C48H72ClFN2O6/c1-29(2)39-33(53)25-48(36(54)28-52(24-23-51(10)11)27-30-13-12-14-32(49)41(30)50)22-21-46(8)31(40(39)48)15-16-35-45(7)19-18-37(58-38(55)26-43(3,4)42(56)57)44(5,6)34(45)17-20-47(35,46)9/h12-14,29,31,34-37,54H,15-28H2,1-11H3,(H,56,57)/t31-,34+,35-,36-,37+,45+,46-,47-,48+/m1/s1
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n/an/an/an/a 4.20n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271415
PNG
(4- (((3aR,5aR,5bR,7aR,9S, 11aR,11bR,13aS)-3a- ((S)...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](O)CN(Cc1ccccc1Cl)C(C)=O
Show InChI InChI=1S/C46H66ClNO7/c1-27(2)38-32(50)23-46(35(51)26-48(28(3)49)25-29-13-11-12-14-31(29)47)22-21-44(9)30(39(38)46)15-16-34-43(8)19-18-36(55-37(52)24-41(4,5)40(53)54)42(6,7)33(43)17-20-45(34,44)10/h11-14,27,30,33-36,51H,15-26H2,1-10H3,(H,53,54)/t30-,33+,34-,35-,36+,43+,44-,45-,46+/m1/s1
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n/an/an/an/a 4.20n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271395
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-(2-{[(4- ch...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CCN(C)Cc2ccc(Cl)cc2)CC1=O
Show InChI InChI=1S/C45H66ClNO5/c1-28(2)37-32(48)25-45(23-24-47(10)27-29-11-13-30(46)14-12-29)22-21-43(8)31(38(37)45)15-16-34-42(7)19-18-35(52-36(49)26-40(3,4)39(50)51)41(5,6)33(42)17-20-44(34,43)9/h11-14,28,31,33-35H,15-27H2,1-10H3,(H,50,51)/t31-,33+,34-,35+,42+,43-,44-,45-/m1/s1
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n/an/an/an/a 4.5n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271428
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-1- (a...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](CNCc1ccccc1)OC(C)=O
Show InChI InChI=1S/C46H67NO7/c1-28(2)38-32(49)24-46(36(53-29(3)48)27-47-26-30-14-12-11-13-15-30)23-22-44(9)31(39(38)46)16-17-34-43(8)20-19-35(54-37(50)25-41(4,5)40(51)52)42(6,7)33(43)18-21-45(34,44)10/h11-15,28,31,33-36,47H,16-27H2,1-10H3,(H,51,52)/t31-,33+,34-,35+,36+,43+,44-,45-,46+/m1/s1
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n/an/an/an/a 4.60n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271451
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CNCc1ccc(F)cc1
Show InChI InChI=1S/C44H64FNO6/c1-26(2)36-30(47)22-44(33(48)25-46-24-27-10-12-28(45)13-11-27)21-20-42(8)29(37(36)44)14-15-32-41(7)18-17-34(52-35(49)23-39(3,4)38(50)51)40(5,6)31(41)16-19-43(32,42)9/h10-13,26,29,31-34,46,48H,14-25H2,1-9H3,(H,50,51)/t29-,31+,32-,33+,34+,41+,42-,43-,44+/m1/s1
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n/an/an/an/a 4.70n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271409
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1S)-1- (a...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](CNCc1ccc(F)cc1)OC(C)=O
Show InChI InChI=1S/C46H66FNO7/c1-27(2)38-32(50)23-46(36(54-28(3)49)26-48-25-29-11-13-30(47)14-12-29)22-21-44(9)31(39(38)46)15-16-34-43(8)19-18-35(55-37(51)24-41(4,5)40(52)53)42(6,7)33(43)17-20-45(34,44)10/h11-14,27,31,33-36,48H,15-26H2,1-10H3,(H,52,53)/t31-,33+,34-,35+,36-,43+,44-,45-,46+/m1/s1
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n/an/an/an/a 4.90n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271406
PNG
(5- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1S)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](O)CN(CCN(C)C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C49H75ClN2O6/c1-31(2)42-35(53)26-49(38(54)30-52(25-24-51(10)11)29-32-12-14-33(50)15-13-32)23-22-47(8)34(43(42)49)16-17-37-46(7)20-19-39(45(5,6)36(46)18-21-48(37,47)9)58-41(57)28-44(3,4)27-40(55)56/h12-15,31,34,36-39,54H,16-30H2,1-11H3,(H,55,56)/t34-,36+,37-,38-,39+,46+,47-,48-,49+/m1/s1
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n/an/an/an/a 4.90n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM304073
PNG
(US10138253, Example 10)
Show SMILES C[C@H]1COCCOC2(C)CCN(CC2)c2c([C@H](OC(C)(C)C)C(O)=O)c(C)c(Cn3cccn3)c3nc(c(Cl)n23)-c2cccc(c2)-c2cc(F)c(F)cc2O1
Show InChI InChI=1S/C41H46ClF2N5O6/c1-24-23-52-17-18-53-41(6)11-15-47(16-12-41)38-33(35(39(50)51)55-40(3,4)5)25(2)29(22-48-14-8-13-45-48)37-46-34(36(42)49(37)38)27-10-7-9-26(19-27)28-20-30(43)31(44)21-32(28)54-24/h7-10,13-14,19-21,24,35H,11-12,15-18,22-23H2,1-6H3,(H,50,51)/t24-,35-/m0/s1
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ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-RLuc proviral clone was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. Thi...


US Patent US10138253 (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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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...)
BDBM271446
PNG
(5- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CNCc1ccc(Cl)cc1
Show InChI InChI=1S/C45H66ClNO6/c1-27(2)38-31(48)22-45(34(49)26-47-25-28-10-12-29(46)13-11-28)21-20-43(8)30(39(38)45)14-15-33-42(7)18-17-35(41(5,6)32(42)16-19-44(33,43)9)53-37(52)24-40(3,4)23-36(50)51/h10-13,27,30,32-35,47,49H,14-26H2,1-9H3,(H,50,51)/t30-,32+,33-,34+,35+,42+,43-,44-,45+/m1/s1
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n/an/an/an/a 5.10n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271418
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CNCc1cccc(Cl)c1
Show InChI InChI=1S/C44H64ClNO6/c1-26(2)36-30(47)22-44(33(48)25-46-24-27-11-10-12-28(45)21-27)20-19-42(8)29(37(36)44)13-14-32-41(7)17-16-34(52-35(49)23-39(3,4)38(50)51)40(5,6)31(41)15-18-43(32,42)9/h10-12,21,26,29,31-34,46,48H,13-20,22-25H2,1-9H3,(H,50,51)/t29-,31+,32-,33+,34+,41+,42-,43-,44+/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271365
PNG
(4-[(1R)-1- [(1R,2R,5R,10S,13R,14R, 17S,19R)-17-[(3...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](CN(CCN(C)C)Cc1ccc(Cl)cc1)OC(=O)CC(C)(C)C(O)=O
Show InChI InChI=1S/C54H81ClN2O9/c1-33(2)44-37(58)28-54(41(66-43(60)30-49(5,6)47(63)64)32-57(27-26-56(12)13)31-34-14-16-35(55)17-15-34)25-24-52(10)36(45(44)54)18-19-39-51(9)22-21-40(65-42(59)29-48(3,4)46(61)62)50(7,8)38(51)20-23-53(39,52)11/h14-17,33,36,38-41H,18-32H2,1-13H3,(H,61,62)(H,63,64)/t36-,38+,39-,40+,41+,51+,52-,53-,54+/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271413
PNG
(4- (((3aR,5aR,5bR,7aR,9S, 11aR,11bR,13aS)-3a- ((S)...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@H](O)CN(Cc1ccc(Cl)cc1)C(C)=O
Show InChI InChI=1S/C46H66ClNO7/c1-27(2)38-32(50)23-46(35(51)26-48(28(3)49)25-29-11-13-30(47)14-12-29)22-21-44(9)31(39(38)46)15-16-34-43(8)19-18-36(55-37(52)24-41(4,5)40(53)54)42(6,7)33(43)17-20-45(34,44)10/h11-14,27,31,33-36,51H,15-26H2,1-10H3,(H,53,54)/t31-,33+,34-,35-,36+,43+,44-,45-,46+/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.30n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271433
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- (c...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CNC1CCCCC1
Show InChI InChI=1S/C43H69NO6/c1-26(2)35-29(45)23-43(32(46)25-44-27-13-11-10-12-14-27)22-21-41(8)28(36(35)43)15-16-31-40(7)19-18-33(50-34(47)24-38(3,4)37(48)49)39(5,6)30(40)17-20-42(31,41)9/h26-28,30-33,44,46H,10-25H2,1-9H3,(H,48,49)/t28-,30+,31-,32+,33+,40+,41-,42-,43+/m1/s1
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.30n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM271412
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-[(1R)-2- {[...)
Show SMILES CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1=O)[C@@H](O)CN(C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C45H66ClNO6/c1-27(2)37-31(48)23-45(34(49)26-47(10)25-28-11-13-29(46)14-12-28)22-21-43(8)30(38(37)45)15-16-33-42(7)19-18-35(53-36(50)24-40(3,4)39(51)52)41(5,6)32(42)17-20-44(33,43)9/h11-14,27,30,32-35,49H,15-26H2,1-10H3,(H,51,52)/t30-,32+,33-,34+,35+,42+,43-,44-,45+/m1/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.40n/an/an/an/a



GLAXOSMITHKLINE LLC

US Patent


Assay Description
Antiviral HIV activity and compound-induced cytotoxicity were measured in parallel by means of a propidium iodide based procedure in the human T-cell...


US Patent US10064873 (2018)

More data for this
Ligand-Target Pair
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