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Patent code US10806794

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


(Human immunodeficiency virus)
BDBM468573
PNG
(US10806794, Compound mPEG5-NHCO-Saquinavir)
Show SMILES COCCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C49H72N6O10/c1-49(2,3)54-48(60)43-31-37-15-8-9-16-38(37)33-55(43)34-44(56)41(30-35-12-6-5-7-13-35)52-47(59)42(53-46(58)40-19-18-36-14-10-11-17-39(36)51-40)32-45(57)50-20-21-62-24-25-64-28-29-65-27-26-63-23-22-61-4/h5-7,10-14,17-19,37-38,41-44,56H,8-9,15-16,20-34H2,1-4H3,(H,50,57)(H,52,59)(H,53,58)(H,54,60)/t37-,38+,41-,42-,43-,44+/m0/s1
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UniChem
US Patent
n/an/a 0.0500n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM50213021
PNG
(CHEBI:63621 | Fortovase | Invirase | Ro-31-8959 | ...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
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US Patent
n/an/a 0.0500n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 protease


(Human immunodeficiency virus)
BDBM468574
PNG
(US10806794, Compound mPEG7-NHCO-Saquinavir)
Show SMILES COCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C53H80N6O12/c1-53(2,3)58-52(64)47-35-41-15-8-9-16-42(41)37-59(47)38-48(60)45(34-39-12-6-5-7-13-39)56-51(63)46(57-50(62)44-19-18-40-14-10-11-17-43(40)55-44)36-49(61)54-20-21-66-24-25-68-28-29-70-32-33-71-31-30-69-27-26-67-23-22-65-4/h5-7,10-14,17-19,41-42,45-48,60H,8-9,15-16,20-38H2,1-4H3,(H,54,61)(H,56,63)(H,57,62)(H,58,64)/t41-,42+,45-,46-,47-,48+/m0/s1
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n/an/a 0.0500n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468572
PNG
(US10806794, Compound mPEG3-NHCO-Saquinavir)
Show SMILES COCCOCCOCCNC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C45H64N6O8/c1-45(2,3)50-44(56)39-27-33-15-8-9-16-34(33)29-51(39)30-40(52)37(26-31-12-6-5-7-13-31)48-43(55)38(28-41(53)46-20-21-58-24-25-59-23-22-57-4)49-42(54)36-19-18-32-14-10-11-17-35(32)47-36/h5-7,10-14,17-19,33-34,37-40,52H,8-9,15-16,20-30H2,1-4H3,(H,46,53)(H,48,55)(H,49,54)(H,50,56)/t33-,34+,37-,38-,39-,40+/m0/s1
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US Patent
n/an/a 0.0700n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468568
PNG
(US10806794, Compound mPEG1-OCONH-Tipranavir)
Show SMILES CC[C@@H](C1=C(O)C[C@@](CCCNC(=O)OCCOC)(CCc2ccccc2)OC1=O)c1cccc(NS(=O)(=O)c2ccc(cn2)C(F)(F)F)c1
Show InChI InChI=1S/C35H40F3N3O8S/c1-3-28(25-11-7-12-27(21-25)41-50(45,46)30-14-13-26(23-40-30)35(36,37)38)31-29(42)22-34(49-32(31)43,17-15-24-9-5-4-6-10-24)16-8-18-39-33(44)48-20-19-47-2/h4-7,9-14,21,23,28,41-42H,3,8,15-20,22H2,1-2H3,(H,39,44)/t28-,34-/m1/s1
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US Patent
n/an/a 0.188n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468563
PNG
(US10806794, Compound mPEG5-O-Darunavir)
Show SMILES COCCOCCOCCOCCOCCOc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C38H59N3O13S/c1-28(2)25-41(55(44,45)32-10-6-30(39)7-11-32)26-35(42)34(40-38(43)54-36-27-53-37-33(36)12-13-52-37)24-29-4-8-31(9-5-29)51-23-22-50-21-20-49-19-18-48-17-16-47-15-14-46-3/h4-11,28,33-37,42H,12-27,39H2,1-3H3,(H,40,43)/t33-,34-,35?,36-,37+/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468567
PNG
(US10806794, Compound mPEG0-OCONH-Tipranavir)
Show SMILES CC[C@@H](C1=C(O)C[C@@](CCCNC(=O)OC)(CCc2ccccc2)OC1=O)c1cccc(NS(=O)(=O)c2ccc(cn2)C(F)(F)F)c1
Show InChI InChI=1S/C33H36F3N3O7S/c1-3-26(23-11-7-12-25(19-23)39-47(43,44)28-14-13-24(21-38-28)33(34,35)36)29-27(40)20-32(46-30(29)41,16-8-18-37-31(42)45-2)17-15-22-9-5-4-6-10-22/h4-7,9-14,19,21,26,39-40H,3,8,15-18,20H2,1-2H3,(H,37,42)/t26-,32-/m1/s1
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n/an/a 0.292n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468564
PNG
(US10806794, Compound mPEG7-O-Darunavir)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C42H67N3O15S/c1-32(2)29-45(61(48,49)36-10-6-34(43)7-11-36)30-39(46)38(44-42(47)60-40-31-59-41-37(40)12-13-58-41)28-33-4-8-35(9-5-33)57-27-26-56-25-24-55-23-22-54-21-20-53-19-18-52-17-16-51-15-14-50-3/h4-11,32,37-41,46H,12-31,43H2,1-3H3,(H,44,47)/t37-,38-,39?,40-,41+/m0/s1
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n/an/a 0.358n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468366
PNG
(US10806794, Compound mono-mPEG3-Atazanavir)
Show SMILES COCCOCCOCCOC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C44H64N6O10/c1-43(2,3)37(48-42(55)60-27-26-59-25-24-58-23-22-56-7)39(52)46-35(28-31-14-10-9-11-15-31)36(51)30-50(49-40(53)38(44(4,5)6)47-41(54)57-8)29-32-17-19-33(20-18-32)34-16-12-13-21-45-34/h9-21,35-38,51H,22-30H2,1-8H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)
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n/an/a 0.366n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468570
PNG
(US10806794, Compound mPEG5-OCONH-Tipranavir)
Show SMILES CC[C@@H](C1=C(O)C[C@@](CCCNC(=O)OCCOCCOCCOCCOCCOC)(CCc2ccccc2)OC1=O)c1cccc(NS(=O)(=O)c2ccc(cn2)C(F)(F)F)c1
Show InChI InChI=1S/C43H56F3N3O12S/c1-3-36(33-11-7-12-35(29-33)49-62(53,54)38-14-13-34(31-48-38)43(44,45)46)39-37(50)30-42(61-40(39)51,17-15-32-9-5-4-6-10-32)16-8-18-47-41(52)60-28-27-59-26-25-58-24-23-57-22-21-56-20-19-55-2/h4-7,9-14,29,31,36,49-50H,3,8,15-28,30H2,1-2H3,(H,47,52)/t36-,42-/m1/s1
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n/an/a 0.462n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468562
PNG
(US10806794, Compound mPEG3-O-Darunavir)
Show SMILES COCCOCCOCCOc1ccc(C[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C34H51N3O11S/c1-24(2)21-37(49(40,41)28-10-6-26(35)7-11-28)22-31(38)30(36-34(39)48-32-23-47-33-29(32)12-13-46-33)20-25-4-8-27(9-5-25)45-19-18-44-17-16-43-15-14-42-3/h4-11,24,29-33,38H,12-23,35H2,1-3H3,(H,36,39)/t29-,30-,31?,32-,33+/m0/s1
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n/an/a 0.475n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468569
PNG
(US10806794, Compound mPEG3-OCONH-Tipranavir)
Show SMILES CC[C@@H](C1=C(O)C[C@@](CCCNC(=O)OCCOCCOCCOC)(CCc2ccccc2)OC1=O)c1cccc(NS(=O)(=O)c2ccc(cn2)C(F)(F)F)c1
Show InChI InChI=1S/C39H48F3N3O10S/c1-3-32(29-11-7-12-31(25-29)45-56(49,50)34-14-13-30(27-44-34)39(40,41)42)35-33(46)26-38(55-36(35)47,17-15-28-9-5-4-6-10-28)16-8-18-43-37(48)54-24-23-53-22-21-52-20-19-51-2/h4-7,9-14,25,27,32,45-46H,3,8,15-24,26H2,1-2H3,(H,43,48)/t32-,38-/m1/s1
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n/an/a 0.617n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468560
PNG
(US10806794, Compound mPEG5-N-Darunavir)
Show SMILES COCCOCCOCCOCCOCCNc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12
Show InChI InChI=1S/C38H59N3O12S/c1-29(2)26-41(27-35(42)34(25-30-7-5-4-6-8-30)40-38(43)53-36-28-52-37-33(36)13-15-51-37)54(44,45)32-11-9-31(10-12-32)39-14-16-47-19-20-49-23-24-50-22-21-48-18-17-46-3/h4-12,29,33-37,39,42H,13-28H2,1-3H3,(H,40,43)/t33-,34-,35?,36-,37+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468557
PNG
(US10806794, Compound mono-mPEG7-Atazanavir)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C52H80N6O14/c1-51(2,3)45(56-50(63)72-35-34-71-33-32-70-31-30-69-29-28-68-27-26-67-25-24-66-23-22-64-7)47(60)54-43(36-39-14-10-9-11-15-39)44(59)38-58(57-48(61)46(52(4,5)6)55-49(62)65-8)37-40-17-19-41(20-18-40)42-16-12-13-21-53-42/h9-21,43-46,59H,22-38H2,1-8H3,(H,54,60)(H,55,62)(H,56,63)(H,57,61)
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n/an/a 1.29n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468372
PNG
(US10806794, Compound mono-mPEG6-Atazanavir)
Show SMILES COCCOCCOCCOCCOCCOCCOC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C50H76N6O13/c1-49(2,3)43(54-48(61)69-33-32-68-31-30-67-29-28-66-27-26-65-25-24-64-23-22-62-7)45(58)52-41(34-37-14-10-9-11-15-37)42(57)36-56(55-46(59)44(50(4,5)6)53-47(60)63-8)35-38-17-19-39(20-18-38)40-16-12-13-21-51-40/h9-21,41-44,57H,22-36H2,1-8H3,(H,52,58)(H,53,60)(H,54,61)(H,55,59)
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n/an/a 1.31n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM8125
PNG
((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
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US Patent
n/an/a 1.5n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 protease


(Human immunodeficiency virus)
BDBM468365
PNG
(US10806794, Compound mono-mPEG1-Atazanavir)
Show SMILES COCCOC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C40H56N6O8/c1-39(2,3)33(44-38(51)54-23-22-52-7)35(48)42-31(24-27-14-10-9-11-15-27)32(47)26-46(45-36(49)34(40(4,5)6)43-37(50)53-8)25-28-17-19-29(20-18-28)30-16-12-13-21-41-30/h9-21,31-34,47H,22-26H2,1-8H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)
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Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468370
PNG
(US10806794, Compound mono-mPEG5-Atazanavir)
Show SMILES COCCOCCOCCOCCOCCOC(=O)NC(C(=O)NC(Cc1ccccc1)C(O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)C(NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C48H72N6O12/c1-47(2,3)41(52-46(59)66-31-30-65-29-28-64-27-26-63-25-24-62-23-22-60-7)43(56)50-39(32-35-14-10-9-11-15-35)40(55)34-54(53-44(57)42(48(4,5)6)51-45(58)61-8)33-36-17-19-37(20-18-36)38-16-12-13-21-49-38/h9-21,39-42,55H,22-34H2,1-8H3,(H,50,56)(H,51,58)(H,52,59)(H,53,57)
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n/an/a 2.91n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468561
PNG
(US10806794, Compound mPEG7-N-Darunavir)
Show SMILES COCCOCCOCCOCCOCCOCCOCCNc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12
Show InChI InChI=1S/C42H67N3O14S/c1-33(2)30-45(31-39(46)38(29-34-7-5-4-6-8-34)44-42(47)59-40-32-58-41-37(40)13-15-57-41)60(48,49)36-11-9-35(10-12-36)43-14-16-51-19-20-53-23-24-55-27-28-56-26-25-54-22-21-52-18-17-50-3/h4-12,33,37-41,43,46H,13-32H2,1-3H3,(H,44,47)/t37-,38-,39?,40-,41+/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468559
PNG
(US10806794, Compound mPEG3-N-Darunavir)
Show SMILES COCCOCCOCCNc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12
Show InChI InChI=1S/C34H51N3O10S/c1-25(2)22-37(48(40,41)28-11-9-27(10-12-28)35-14-16-43-19-20-44-18-17-42-3)23-31(38)30(21-26-7-5-4-6-8-26)36-34(39)47-32-24-46-33-29(32)13-15-45-33/h4-12,25,29-33,35,38H,13-24H2,1-3H3,(H,36,39)/t29-,30-,31?,32-,33+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM13934
PNG
(Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...)
Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 protease


(Human immunodeficiency virus)
BDBM50479982
PNG
(Aptivus | CHEBI:63628 | TIPRANAVIR | Tipranavir | ...)
Show SMILES CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1
Show InChI InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1
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n/an/a 7.20n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 protease


(Human immunodeficiency virus)
BDBM50067593
PNG
(CHEBI:44032 | Crixivan | INDINAVIR | Indinavir | L...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
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Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 protease


(Human immunodeficiency virus)
BDBM468305
PNG
(US10806794, Compound di-mPEG7-Atazanavir)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOC(=O)N[C@@H](C(=O)NC(Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@H](NC(=O)OCCOCCOCCOCCOCCOCCOCCOC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C66H108N6O21/c1-65(2,3)59(69-63(76)92-48-46-90-44-42-88-40-38-86-36-34-84-32-30-82-28-26-80-24-22-78-7)61(74)68-57(50-53-14-10-9-11-15-53)58(73)52-72(51-54-17-19-55(20-18-54)56-16-12-13-21-67-56)71-62(75)60(66(4,5)6)70-64(77)93-49-47-91-45-43-89-41-39-87-37-35-85-33-31-83-29-27-81-25-23-79-8/h9-21,57-60,73H,22-52H2,1-8H3,(H,68,74)(H,69,76)(H,70,77)(H,71,75)/t57?,58-,59-,60-/m0/s1
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n/an/a 10.9n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468566
PNG
(US10806794, Compound mPEG7-amide-Tipranavir)
Show SMILES CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(c2)N(CCOCCOCCOCCOCCOCCOCCOC)S(=O)(=O)c2ccc(cn2)C(F)(F)F)C(=O)O1
Show InChI InChI=1S/C46H63F3N2O12S/c1-4-17-45(18-16-36-10-7-6-8-11-36)34-41(52)43(44(53)63-45)40(5-2)37-12-9-13-39(33-37)51(64(54,55)42-15-14-38(35-50-42)46(47,48)49)19-20-57-23-24-59-27-28-61-31-32-62-30-29-60-26-25-58-22-21-56-3/h6-15,33,35,40,52H,4-5,16-32,34H2,1-3H3/t40-,45-/m1/s1
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Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468300
PNG
(US10806794, Compound di-mPEG3-Atazanavir)
Show SMILES COCCOCCOCCOC(=O)N[C@@H](C(=O)NC(Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@H](NC(=O)OCCOCCOCCOC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C50H76N6O13/c1-49(2,3)43(53-47(60)68-32-30-66-28-26-64-24-22-62-7)45(58)52-41(34-37-14-10-9-11-15-37)42(57)36-56(35-38-17-19-39(20-18-38)40-16-12-13-21-51-40)55-46(59)44(50(4,5)6)54-48(61)69-33-31-67-29-27-65-25-23-63-8/h9-21,41-44,57H,22-36H2,1-8H3,(H,52,58)(H,53,60)(H,54,61)(H,55,59)/t41?,42-,43-,44-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468303
PNG
(US10806794, Compound di-mPEG6-Atazanavir)
Show SMILES COCCOCCOCCOCCOCCOCCOC(=O)N[C@@H](C(=O)NC(Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@H](NC(=O)OCCOCCOCCOCCOCCOCCOC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C62H100N6O19/c1-61(2,3)55(65-59(72)86-44-42-84-40-38-82-36-34-80-32-30-78-28-26-76-24-22-74-7)57(70)64-53(46-49-14-10-9-11-15-49)54(69)48-68(47-50-17-19-51(20-18-50)52-16-12-13-21-63-52)67-58(71)56(62(4,5)6)66-60(73)87-45-43-85-41-39-83-37-35-81-33-31-79-29-27-77-25-23-75-8/h9-21,53-56,69H,22-48H2,1-8H3,(H,64,70)(H,65,72)(H,66,73)(H,67,71)/t53?,54-,55-,56-/m0/s1
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n/an/a 15.6n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM468301
PNG
(US10806794, Compound di-mPEG5-Atazanavir)
Show SMILES COCCOCCOCCOCCOCCOC(=O)N[C@@H](C(=O)NC(Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@H](NC(=O)OCCOCCOCCOCCOCCOC)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C58H92N6O17/c1-57(2,3)51(61-55(68)80-40-38-78-36-34-76-32-30-74-28-26-72-24-22-70-7)53(66)60-49(42-45-14-10-9-11-15-45)50(65)44-64(43-46-17-19-47(20-18-46)48-16-12-13-21-59-48)63-54(67)52(58(4,5)6)62-56(69)81-41-39-79-37-35-77-33-31-75-29-27-73-25-23-71-8/h9-21,49-52,65H,22-44H2,1-8H3,(H,60,66)(H,61,68)(H,62,69)(H,63,67)/t49?,50-,51-,52-/m0/s1
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n/an/a 17.3n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...


US Patent US10806794 (2020)

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