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Compile Data Set for Download or QSAR

Found 73 hits Enz. Inhib. hit(s) with Target = 'Envelope glycoprotein gp160 (V370A)'   
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 (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=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 0.700n/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 (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=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 0.900n/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 (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=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 1n/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 (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=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 (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=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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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 (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=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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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 (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=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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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 (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=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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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 (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=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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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 (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=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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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 (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=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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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 (V370A)


(Human immunodeficiency virus 1)
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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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 (V370A)


(Human immunodeficiency virus 1)
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 (V370A)


(Human immunodeficiency virus 1)
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 (V370A)


(Human immunodeficiency virus 1)
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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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 (V370A)


(Human immunodeficiency virus 1)
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 3.80n/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 (V370A)


(Human immunodeficiency virus 1)
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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n/an/an/an/a 4.10n/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 (V370A)


(Human immunodeficiency virus 1)
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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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 (V370A)


(Human immunodeficiency virus 1)
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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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 (V370A)


(Human immunodeficiency virus 1)
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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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 (V370A)


(Human immunodeficiency virus 1)
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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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 (V370A)


(Human immunodeficiency virus 1)
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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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 (V370A)


(Human immunodeficiency virus 1)
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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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 (V370A)


(Human immunodeficiency virus 1)
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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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 (V370A)


(Human immunodeficiency virus 1)
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 (V370A)


(Human immunodeficiency virus 1)
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 (V370A)


(Human immunodeficiency virus 1)
BDBM271394
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-(2-{[1-(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(CCN(C)C)C2(CC2)c2ccc(Cl)cc2)CC1=O
Show InChI InChI=1S/C50H75ClN2O5/c1-32(2)41-36(54)30-49(26-27-53(29-28-52(10)11)50(24-25-50)33-12-14-34(51)15-13-33)23-22-47(8)35(42(41)49)16-17-38-46(7)20-19-39(58-40(55)31-44(3,4)43(56)57)45(5,6)37(46)18-21-48(38,47)9/h12-15,32,35,37-39H,16-31H2,1-11H3,(H,56,57)/t35-,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 (V370A)


(Human immunodeficiency virus 1)
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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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 (V370A)


(Human immunodeficiency virus 1)
BDBM271399
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](CNCc1ccc(Cl)cc1)OC(C)=O
Show InChI InChI=1S/C46H66ClNO7/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 7.60n/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 (V370A)


(Human immunodeficiency virus 1)
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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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 (V370A)


(Human immunodeficiency virus 1)
BDBM271410
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](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 8.90n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271387
PNG
(4-[(1S)-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 9.30n/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 (V370A)


(Human immunodeficiency virus 1)
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 9.40n/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 (V370A)


(Human immunodeficiency virus 1)
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 10.8n/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 (V370A)


(Human immunodeficiency virus 1)
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 11.7n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271392
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-(2-{[1-(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(CCNC2(CC2)c2ccc(Cl)cc2)CC1=O
Show InChI InChI=1S/C46H66ClNO5/c1-28(2)37-32(49)26-45(24-25-48-46(22-23-46)29-10-12-30(47)13-11-29)21-20-43(8)31(38(37)45)14-15-34-42(7)18-17-35(53-36(50)27-40(3,4)39(51)52)41(5,6)33(42)16-19-44(34,43)9/h10-13,28,31,33-35,48H,14-27H2,1-9H3,(H,51,52)/t31-,33+,34-,35+,42+,43-,44-,45-/m1/s1
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n/an/an/an/a 13.5n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271391
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-(2-{[(3- 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(CCNCc2cccc(Cl)c2F)CC1=O
Show InChI InChI=1S/C44H63ClFNO5/c1-26(2)35-30(48)23-44(21-22-47-25-27-11-10-12-29(45)37(27)46)20-19-42(8)28(36(35)44)13-14-32-41(7)17-16-33(52-34(49)24-39(3,4)38(50)51)40(5,6)31(41)15-18-43(32,42)9/h10-12,26,28,31-33,47H,13-25H2,1-9H3,(H,50,51)/t28-,31+,32-,33+,41+,42-,43-,44-/m1/s1
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n/an/an/an/a 14.3n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271440
PNG
(4- (((3aR,5aR,5bR,7aR,9S, 11aR,11bR,13aS)-3a-(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(CCNCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C44H66ClNO4/c1-28(2)31-16-21-44(24-25-46-27-29-10-12-30(45)13-11-29)23-22-42(8)32(37(31)44)14-15-34-41(7)19-18-35(50-36(47)26-39(3,4)38(48)49)40(5,6)33(41)17-20-43(34,42)9/h10-13,28,32-35,46H,14-27H2,1-9H3,(H,48,49)/t32-,33+,34-,35+,41+,42-,43-,44-/m1/s1
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n/an/an/an/a 16.1n/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 (V370A)


(Human immunodeficiency virus 1)
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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n/an/an/an/a 17.2n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271420
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](CNCc1cccc(Cl)c1)OC(C)=O
Show InChI InChI=1S/C46H66ClNO7/c1-27(2)38-32(50)23-46(36(54-28(3)49)26-48-25-29-12-11-13-30(47)22-29)21-20-44(9)31(39(38)46)14-15-34-43(8)18-17-35(55-37(51)24-41(4,5)40(52)53)42(6,7)33(43)16-19-45(34,44)10/h11-13,22,27,31,33-36,48H,14-21,23-26H2,1-10H3,(H,52,53)/t31-,33+,34-,35+,36+,43+,44-,45-,46+/m1/s1
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n/an/an/an/a 18.9n/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 (V370A)


(Human immunodeficiency virus 1)
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 20.9n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271414
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(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
PDB

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n/an/an/an/a 21.1n/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 (V370A)


(Human immunodeficiency virus 1)
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
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n/an/an/an/a 22.5n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271390
PNG
(4- {[(1R,2R,5R,10S,13R,14R, 17S,19R)-5-(2-{[(3- 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(CCNCc2cccc(Cl)c2)CC1=O
Show InChI InChI=1S/C44H64ClNO5/c1-27(2)36-31(47)24-44(21-22-46-26-28-11-10-12-29(45)23-28)20-19-42(8)30(37(36)44)13-14-33-41(7)17-16-34(51-35(48)25-39(3,4)38(49)50)40(5,6)32(41)15-18-43(33,42)9/h10-12,23,27,30,32-34,46H,13-22,24-26H2,1-9H3,(H,49,50)/t30-,32+,33-,34+,41+,42-,43-,44-/m1/s1
PDB

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n/an/an/an/a 23.1n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271408
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)CNCc1ccccc1Cl
Show InChI InChI=1S/C44H64ClNO6/c1-26(2)36-30(47)22-44(33(48)25-46-24-27-12-10-11-13-29(27)45)21-20-42(8)28(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/h10-13,26,28,31-34,46,48H,14-25H2,1-9H3,(H,50,51)/t28-,31+,32-,33+,34+,41+,42-,43-,44+/m1/s1
PDB

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n/an/an/an/a 27.8n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271411
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(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
PDB

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US Patent
n/an/an/an/a 28.6n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271400
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](CNCc1ccc(Cl)cc1)OC(C)=O
Show InChI InChI=1S/C46H66ClNO7/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
PDB

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n/an/an/an/a 29.2n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271398
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)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
PDB

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US Patent
n/an/an/an/a 31.1n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271359
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](CNCc1ccc(Cl)cc1)OC(=O)CC(C)(C)C(O)=O
Show InChI InChI=1S/C50H72ClNO9/c1-29(2)40-33(53)24-50(37(61-39(55)26-45(5,6)43(58)59)28-52-27-30-12-14-31(51)15-13-30)23-22-48(10)32(41(40)50)16-17-35-47(9)20-19-36(60-38(54)25-44(3,4)42(56)57)46(7,8)34(47)18-21-49(35,48)11/h12-15,29,32,34-37,52H,16-28H2,1-11H3,(H,56,57)(H,58,59)/t32-,34+,35-,36+,37+,47+,48-,49-,50+/m1/s1
PDB

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n/an/an/an/a 34.6n/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 (V370A)


(Human immunodeficiency virus 1)
BDBM271445
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](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
PDB

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n/an/an/an/a 35.3n/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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