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Patent code US10583140

Compile Data Set for Download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434945
PNG
(((1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)N(C)c4ccc(Cl)cc4)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=C[C@@]14C3=O)C2(C)C
Show InChI InChI=1S/C28H34ClNO6/c1-14-12-27-15(2)10-20-21(26(20,3)4)19(24(27)33)11-16(23(32)28(27,35)22(14)31)13-36-25(34)30(5)18-8-6-17(29)7-9-18/h6-9,11-12,15,19-23,31-32,35H,10,13H2,1-5H3/t15-,19+,20-,21+,22+,23-,27+,28-/m1/s1
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US Patent
n/an/an/an/a 616n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434947
PNG
(((1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-...)
Show SMILES CCCCNC(=O)OCC1=C[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@]4(C=C(C)[C@H](O)[C@@]4(O)[C@@H]1O)C2=O)C3(C)C
Show InChI InChI=1S/C25H37NO6/c1-6-7-8-26-22(30)32-12-15-10-16-18-17(23(18,4)5)9-14(3)24(21(16)29)11-13(2)19(27)25(24,31)20(15)28/h10-11,14,16-20,27-28,31H,6-9,12H2,1-5H3,(H,26,30)/t14-,16+,17-,18+,19+,20-,24+,25-/m1/s1
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US Patent
n/an/an/an/a 1.05E+3n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434949
PNG
(((1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)N(C)C4CCCCC4)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=C[C@@]14C3=O)C2(C)C
Show InChI InChI=1S/C28H41NO6/c1-15-13-27-16(2)11-20-21(26(20,3)4)19(24(27)32)12-17(23(31)28(27,34)22(15)30)14-35-25(33)29(5)18-9-7-6-8-10-18/h12-13,16,18-23,30-31,34H,6-11,14H2,1-5H3/t16-,19+,20-,21+,22+,23-,27+,28-/m1/s1
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n/an/an/an/a 5.00E+4n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434952
PNG
((1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-1...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COc4ncc(cn4)C(F)(F)F)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=C[C@@]14C3=O)C2(C)C
Show InChI InChI=1S/C25H29F3N2O5/c1-11-7-23-12(2)5-16-17(22(16,3)4)15(20(23)33)6-13(19(32)24(23,34)18(11)31)10-35-21-29-8-14(9-30-21)25(26,27)28/h6-9,12,15-19,31-32,34H,5,10H2,1-4H3/t12-,15+,16-,17+,18+,19-,23+,24-/m1/s1
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US Patent
n/an/an/an/a 5.17E+3n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434948
PNG
(((1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)NCc4ccccc4)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=C[C@@]14C3=O)C2(C)C
Show InChI InChI=1S/C28H35NO6/c1-15-12-27-16(2)10-20-21(26(20,3)4)19(24(27)32)11-18(23(31)28(27,34)22(15)30)14-35-25(33)29-13-17-8-6-5-7-9-17/h5-9,11-12,16,19-23,30-31,34H,10,13-14H2,1-4H3,(H,29,33)/t16-,19+,20-,21+,22+,23-,27+,28-/m1/s1
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n/an/an/an/a 4.33E+3n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434943
PNG
(Synthesis of (1aR,2S,5R,5aS,8aS,9R,10aR)-5,5a-dihy...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@@]14C3=O)C2(C)C
Show InChI InChI=1S/C20H26O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-14,16,21,23,25H,5,8H2,1-4H3/t10-,12+,13-,14?,16-,19+,20-/m1/s1
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n/an/an/an/a 4.94E+3n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434951
PNG
((1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-((...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)N4CCc5ccccc45)[C@@H](O)[C@]4(O)[C@@H](OC(=O)N5CCc6ccccc56)C(C)=C[C@@]14C3=O)C2(C)C
Show InChI InChI=1S/C38H42N2O7/c1-21-19-37-22(2)17-27-30(36(27,3)4)26(32(37)42)18-25(20-46-34(43)39-15-13-23-9-5-7-11-28(23)39)31(41)38(37,45)33(21)47-35(44)40-16-14-24-10-6-8-12-29(24)40/h5-12,18-19,22,26-27,30-31,33,41,45H,13-17,20H2,1-4H3/t22-,26+,27-,30+,31-,33+,37+,38+/m1/s1
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US Patent
n/an/an/an/a 3.50E+3n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434941
PNG
(((1aR,2S,5R,5aS,6S,8aS,9R,10aR)-6-(((4-chloropheny...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)c4ccccc4)[C@@H](O)[C@]4(O)[C@@H](OC(=O)N(C)c5ccc(Cl)cc5)C(C)=C[C@@]14C3=O)C2(C)C
Show InChI InChI=1S/C35H38ClNO7/c1-19-17-34-20(2)15-26-27(33(26,3)4)25(29(34)39)16-22(18-43-31(40)21-9-7-6-8-10-21)28(38)35(34,42)30(19)44-32(41)37(5)24-13-11-23(36)12-14-24/h6-14,16-17,20,25-28,30,38,42H,15,18H2,1-5H3/t20-,25+,26-,27?,28-,30+,34+,35+/m1/s1
PDB
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US Patent
n/an/an/an/a 22n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434942
PNG
((1aR,2S,5R,5aS,6S,8aS,9R,10aR)-4-((1,3-dioxoisoind...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CN4C(=O)c5ccccc5C4=O)[C@@H](O)[C@]4(O)[C@@H](OC(=O)N(C)c5ccc(Cl)cc5)C(C)=C[C@@]14C3=O)C2(C)C
Show InChI InChI=1S/C36H37ClN2O7/c1-18-16-35-19(2)14-26-27(34(26,3)4)25(29(35)41)15-20(17-39-31(42)23-8-6-7-9-24(23)32(39)43)28(40)36(35,45)30(18)46-33(44)38(5)22-12-10-21(37)11-13-22/h6-13,15-16,19,25-28,30,40,45H,14,17H2,1-5H3/t19-,25+,26-,27?,28-,30+,35+,36+/m1/s1
PDB
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US Patent
n/an/an/an/a 1.11E+3n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434946
PNG
(((1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)Nc4ccccc4)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=C[C@@]14C3=O)C2(C)C
Show InChI InChI=1S/C27H33NO6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(23(26)31)11-16(22(30)27(26,33)21(14)29)13-34-24(32)28-17-8-6-5-7-9-17/h5-9,11-12,15,18-22,29-30,33H,10,13H2,1-4H3,(H,28,32)/t15-,18+,19-,20+,21+,22-,26+,27-/m1/s1
PDB
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n/an/an/an/a 3.68E+3n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434878
PNG
(((1aR,2S,5R,5aS,6S,8aS,9R,10aR)-6-(((4-chloropheny...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(C)=O)[C@@H](O)[C@]4(O)[C@@H](OC(=O)N(C)c5ccc(Cl)cc5)C(C)=C[C@@]14C3=O)C2(C)C
Show InChI InChI=1S/C30H36ClNO7/c1-15-13-29-16(2)11-22-23(28(22,4)5)21(25(29)35)12-18(14-38-17(3)33)24(34)30(29,37)26(15)39-27(36)32(6)20-9-7-19(31)8-10-20/h7-10,12-13,16,21-24,26,34,37H,11,14H2,1-6H3/t16-,21+,22-,23?,24-,26+,29+,30+/m1/s1
PDB
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US Patent
n/an/an/an/a 7n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus type 1 (HIV-1))
BDBM434950
PNG
(((1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)N4CCc5ccccc45)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=C[C@@]14C3=O)C2(C)C
Show InChI InChI=1S/C29H35NO6/c1-15-13-28-16(2)11-20-22(27(20,3)4)19(25(28)33)12-18(24(32)29(28,35)23(15)31)14-36-26(34)30-10-9-17-7-5-6-8-21(17)30/h5-8,12-13,16,19-20,22-24,31-32,35H,9-11,14H2,1-4H3/t16-,19+,20-,22+,23+,24-,28+,29-/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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US Patent
n/an/an/an/a 278n/an/an/an/a



GlaxoSmithKline Intellectual Property Development Limited

US Patent


Assay Description
For the Jurkat HIV Latency assay, compounds are dissolved and titrated in DMSO and diluted 100-fold in assay medium (RPMI-1640 containing 10% fetal b...


US Patent US10583140 (2020)


BindingDB Entry DOI: 10.7270/Q2VT1VH3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%