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Compile Data Set for Download or QSAR

Found 1274 hits Enz. Inhib. hit(s) with Target = 'Envelope glycoprotein gp160'   
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...)
BDBM359370
PNG
(US10221129, Example VN-14 | US10221129, Example VN...)
Show SMILES CC1CN(c2ncccc12)S(=O)(=O)NC(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc2scnc2c1
Show InChI InChI=1/C26H24F2N6O4S2/c1-15-13-34(24-20(15)4-3-7-29-24)40(37,38)32-26(36)31-22(10-16-8-17(27)11-18(28)9-16)25(35)33(2)19-5-6-23-21(12-19)30-14-39-23/h3-9,11-12,14-15,22H,10,13H2,1-2H3,(H2,31,32,36)/t15?,22-/s2
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n/an/an/an/a 0n/an/an/an/a



ViiV HEALTHCARE UK (NO. 5) LIMITED

US Patent


Assay Description
HIV cell culture assay-MT-2 cells, 293T cells and the proviral DNA clone of NL4-3 virus were obtained from the NIH AIDS Research and Reference Reagen...


US Patent US10221129 (2019)


Article DOI: 10.1016/j.bmcl.2007.01.001
More data for this
Ligand-Target Pair
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=1/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-/s2
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n/an/an/an/a 0.5n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 0.600n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160 (V370A)


(Human immunodeficiency virus 1)
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=1/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+/s2
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n/an/an/an/a 0.700n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 0.700n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 0.800n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160 (V370A)


(Human immunodeficiency virus 1)
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=1/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+/s2
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n/an/an/an/a 0.900n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357263
PNG
(US10214516, Compound 9)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3c4cccnc4oc23)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1/C38H44N6O4/c1-22-28(31(43-17-13-38(6,7)14-18-43)29(23(2)42-22)32(36(45)46)48-37(3,4)5)25-10-11-26-20-44(16-12-24(26)19-25)34-33-30(40-21-41-34)27-9-8-15-39-35(27)47-33/h8-11,15,19,21,32H,12-14,16-18,20H2,1-7H3,(H,45,46)/t32-/s2
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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 US10214516 (2019)


Article DOI: 10.1021/jm060173k
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357265
PNG
(US10214516, Compound 12)
Show SMILES CCOc1cccc2oc3c(ncnc3c12)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1N1CCC(C)(C)CC1
Show InChI InChI=1/C41H49N5O5/c1-9-49-29-11-10-12-30-33(29)34-37(50-30)38(43-23-42-34)46-18-15-26-21-27(13-14-28(26)22-46)31-24(2)44-25(3)32(36(39(47)48)51-40(4,5)6)35(31)45-19-16-41(7,8)17-20-45/h10-14,21,23,36H,9,15-20,22H2,1-8H3,(H,47,48)/t36-/s2
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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 US10214516 (2019)


Article DOI: 10.1021/jm060173k
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357255
PNG
(US10214516, Compound 1)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3c4ccccc4oc23)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1/C39H45N5O4/c1-23-30(33(43-18-15-39(6,7)16-19-43)31(24(2)42-23)34(37(45)46)48-38(3,4)5)26-12-13-27-21-44(17-14-25(27)20-26)36-35-32(40-22-41-36)28-10-8-9-11-29(28)47-35/h8-13,20,22,34H,14-19,21H2,1-7H3,(H,45,46)/t34-/s2
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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 US10214516 (2019)


Article DOI: 10.1021/jm060173k
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=1/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-/s2
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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)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2BK1FF5
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=1/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-/s2
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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)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2BK1FF5
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160 (V370A)


(Human immunodeficiency virus 1)
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=1/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+/s2
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n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 1.10n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160 (V370A)


(Human immunodeficiency virus 1)
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=1/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+/s2
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n/an/an/an/a 1.40n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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-/s2
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n/an/an/an/a 1.60n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 1.60n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 1.80n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 1.90n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357264
PNG
(US10214516, Compound 11)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3c4cc(F)ccc4oc23)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1/C39H44FN5O4/c1-22-30(33(44-16-13-39(6,7)14-17-44)31(23(2)43-22)34(37(46)47)49-38(3,4)5)25-8-9-26-20-45(15-12-24(26)18-25)36-35-32(41-21-42-36)28-19-27(40)10-11-29(28)48-35/h8-11,18-19,21,34H,12-17,20H2,1-7H3,(H,46,47)/t34-/s2
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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 US10214516 (2019)


Article DOI: 10.1021/jm060173k
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM324123
PNG
(US10189816, Compound 116)
Show SMILES COc1ccc(F)c(CN2CCc3cc(ccc3C2)-c2c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c2N2CCC(C)(C)CC2)c1
Show InChI InChI=1/C37H48FN3O4/c1-23-31(26-9-10-27-21-40(16-13-25(27)19-26)22-28-20-29(44-8)11-12-30(28)38)33(41-17-14-37(6,7)15-18-41)32(24(2)39-23)34(35(42)43)45-36(3,4)5/h9-12,19-20,34H,13-18,21-22H2,1-8H3,(H,42,43)/t34-/s2
PDB
MMDB

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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 US10189816 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q23R0W0W
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=1/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-/s2
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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)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2BK1FF5
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=1/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-/s2
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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)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2BK1FF5
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=1/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-/s2
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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)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2BK1FF5
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=1/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-/s2
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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)


Article DOI: 10.1021/jm040063i
BindingDB Entry DOI: 10.7270/Q2BK1FF5
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=1/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+/s2
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n/an/an/an/a 2.10n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160 (V370A)


(Human immunodeficiency virus 1)
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=1/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-/s2
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n/an/an/an/a 2.10n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 2.10n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160 (V370A)


(Human immunodeficiency virus 1)
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=1/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+/s2
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n/an/an/an/a 2.10n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 2.30n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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-/s2
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n/an/an/an/a 2.30n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160 (V370A)


(Human immunodeficiency virus 1)
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=1/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-/s2
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n/an/an/an/a 2.40n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 2.40n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160 (V370A)


(Human immunodeficiency virus 1)
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=1/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+/s2
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n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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-/s2
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n/an/an/an/a 2.60n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160 (V370A)


(Human immunodeficiency virus 1)
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=1/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+/s2
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n/an/an/an/a 2.60n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160 (V370A)


(Human immunodeficiency virus 1)
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=1/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+/s2
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n/an/an/an/a 2.70n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160 (V370A)


(Human immunodeficiency virus 1)
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=1/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+/s2
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n/an/an/an/a 2.70n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
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=1/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+/s2
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n/an/an/an/a 2.90n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357266
PNG
(US10214516, Compound 13)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3c2oc2cccc(F)c32)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1/C39H44FN5O4/c1-22-29(33(44-17-14-39(6,7)15-18-44)30(23(2)43-22)34(37(46)47)49-38(3,4)5)25-11-12-26-20-45(16-13-24(26)19-25)36-35-32(41-21-42-36)31-27(40)9-8-10-28(31)48-35/h8-12,19,21,34H,13-18,20H2,1-7H3,(H,46,47)/t34-/s2
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n/an/an/an/a 3n/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 US10214516 (2019)


Article DOI: 10.1021/jm060173k
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM324052
PNG
(US10189816, Compound 45)
Show SMILES Cc1nc(C)c(-c2ccc3CN(Cc4cc(F)ccc4Cl)CCc3c2)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1/C36H45ClFN3O3/c1-22-30(25-8-9-26-20-40(15-12-24(26)18-25)21-27-19-28(38)10-11-29(27)37)32(41-16-13-36(6,7)14-17-41)31(23(2)39-22)33(34(42)43)44-35(3,4)5/h8-11,18-19,33H,12-17,20-21H2,1-7H3,(H,42,43)/t33-/s2
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n/an/an/an/a 3n/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 US10189816 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q23R0W0W
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM324030
PNG
(US10189816, Compound 23)
Show SMILES Cc1cccc(Cl)c1CN1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1N1CCC(C)(C)CC1
Show InChI InChI=1/C37H48ClN3O3/c1-23-10-9-11-30(38)29(23)22-40-17-14-26-20-27(12-13-28(26)21-40)31-24(2)39-25(3)32(34(35(42)43)44-36(4,5)6)33(31)41-18-15-37(7,8)16-19-41/h9-13,20,34H,14-19,21-22H2,1-8H3,(H,42,43)/t34-/s2
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n/an/an/an/a 3n/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 US10189816 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q23R0W0W
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=1/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-/s2
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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)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2NC638D
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=1/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-/s2
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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)


Article DOI: 10.1210/endo.137.7.8770901
BindingDB Entry DOI: 10.7270/Q2NC638D
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=1/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+/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
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UniChem
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n/an/an/an/a 3n/an/an/an/a



GlaxoSmithKline

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)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2J38VKM
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357258
PNG
(US10214516, Compound 4)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ccc3ccc4cccnc4c3n2)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1/C41H47N5O3/c1-25-33(37(45-21-17-41(6,7)18-22-45)34(26(2)43-25)38(39(47)48)49-40(3,4)5)30-12-13-31-24-46(20-16-29(31)23-30)32-15-14-28-11-10-27-9-8-19-42-35(27)36(28)44-32/h8-15,19,23,38H,16-18,20-22,24H2,1-7H3,(H,47,48)/t38-/s2
PDB

UniProtKB/TrEMBL

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US Patent
n/an/an/an/a 3n/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 US10214516 (2019)


Article DOI: 10.1021/jm060173k
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM359612
PNG
(US10221156, Example 13)
Show SMILES Cc1nc(C)c(-c2ccc(OCCN3CCSCC3)cc2)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1/C32H47N3O4S/c1-22-26(24-8-10-25(11-9-24)38-19-16-34-17-20-40-21-18-34)28(35-14-12-32(6,7)13-15-35)27(23(2)33-22)29(30(36)37)39-31(3,4)5/h8-11,29H,12-21H2,1-7H3,(H,36,37)/t29-/s2
PDB

UniProtKB/TrEMBL

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UniChem
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US Patent
n/an/an/an/a 3n/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 US10221156 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.043
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM359611
PNG
(US10221156, Example 11)
Show SMILES Cc1nc(C)c(-c2ccc(OCC3(CC3)c3ccc(F)cc3)cc2)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1/C36H45FN2O4/c1-23-29(25-8-14-28(15-9-25)42-22-36(16-17-36)26-10-12-27(37)13-11-26)31(39-20-18-35(6,7)19-21-39)30(24(2)38-23)32(33(40)41)43-34(3,4)5/h8-15,32H,16-22H2,1-7H3,(H,40,41)/t32-/s2
PDB

UniProtKB/TrEMBL

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UniChem
Article
US Patent
n/an/an/an/a 3n/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 US10221156 (2019)


Article DOI: 10.1016/j.bmcl.2005.12.043
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM324171
PNG
(US10189816, Compound 164)
Show SMILES Cc1cccc(Cl)c1CN1CCc2cc(ccc2C1)-c1cnc(C)c([C@H](OC(C)(C)C)C(O)=O)c1N1CCC(C)(C)CC1
Show InChI InChI=1/C36H46ClN3O3/c1-23-9-8-10-30(37)29(23)22-39-16-13-25-19-26(11-12-27(25)21-39)28-20-38-24(2)31(33(34(41)42)43-35(3,4)5)32(28)40-17-14-36(6,7)15-18-40/h8-12,19-20,33H,13-18,21-22H2,1-7H3,(H,41,42)/t33-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem
Article
US Patent
n/an/an/an/a 3n/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 US10189816 (2019)


Article DOI: 10.1016/j.bmcl.2005.03.055
BindingDB Entry DOI: 10.7270/Q23R0W0W
More data for this
Ligand-Target Pair
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