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Patent code US10214516

Compile Data Set for Download or QSAR
Found 14 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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357256
PNG
(US10214516, Compound 2)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2nc3ccccc3c3ccccc23)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C42H48N4O3/c1-26-35(37(45-22-19-42(6,7)20-23-45)36(27(2)43-26)38(40(47)48)49-41(3,4)5)29-16-17-30-25-46(21-18-28(30)24-29)39-33-14-9-8-12-31(33)32-13-10-11-15-34(32)44-39/h8-17,24,38H,18-23,25H2,1-7H3,(H,47,48)/t38-/m0/s1
PDB

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UniChem
US Patent
n/an/an/an/a 31n/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)

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=1S/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-/m0/s1
PDB

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UniChem
US Patent
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)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357260
PNG
(US10214516, Compound 6)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3sc4ccccc4c23)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C39H45N5O3S/c1-23-30(33(43-18-15-39(6,7)16-19-43)31(24(2)42-23)34(37(45)46)47-38(3,4)5)26-12-13-27-21-44(17-14-25(27)20-26)35-32-28-10-8-9-11-29(28)48-36(32)41-22-40-35/h8-13,20,22,34H,14-19,21H2,1-7H3,(H,45,46)/t34-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/an/an/a 5n/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)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357261
PNG
(US10214516, Compound 7)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3[nH]c4ccccc4c23)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C39H46N6O3/c1-23-30(33(44-18-15-39(6,7)16-19-44)31(24(2)42-23)34(37(46)47)48-38(3,4)5)26-12-13-27-21-45(17-14-25(27)20-26)36-32-28-10-8-9-11-29(28)43-35(32)40-22-41-36/h8-13,20,22,34H,14-19,21H2,1-7H3,(H,46,47)(H,40,41,43)/t34-/m0/s1
PDB

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UniChem
US Patent
n/an/an/an/a 5n/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)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357267
PNG
(US10214516, Compound 14)
Show SMILES Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1N1CCC(C)(C)CC1
Show InChI InChI=1S/C40H48N6O3/c1-23-9-12-30-29(19-23)33-34(44-30)37(42-22-41-33)46-16-13-26-20-27(10-11-28(26)21-46)31-24(2)43-25(3)32(36(38(47)48)49-39(4,5)6)35(31)45-17-14-40(7,8)15-18-45/h9-12,19-20,22,36,44H,13-18,21H2,1-8H3,(H,47,48)/t36-/m0/s1
PDB

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PC sid
UniChem
US Patent
n/an/an/an/a 13n/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)

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=1S/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-/m0/s1
PDB

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PC sid
UniChem
US Patent
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)

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=1S/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-/m0/s1
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
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)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357262
PNG
(US10214516, Compound 8)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3c4ccccc4sc23)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C39H45N5O3S/c1-23-30(33(43-18-15-39(6,7)16-19-43)31(24(2)42-23)34(37(45)46)47-38(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)48-35/h8-13,20,22,34H,14-19,21H2,1-7H3,(H,45,46)/t34-/m0/s1
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/an/an/a 4n/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)

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=1S/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-/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
US Patent
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)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357257
PNG
(US10214516, Compound 3)
Show SMILES Cc1ccc2c(c1)[nH]c1nc(nc(Cl)c21)N1CCc2cc(ccc2C1)-c1c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c1N1CCC(C)(C)CC1
Show InChI InChI=1S/C40H47ClN6O3/c1-22-9-12-28-29(19-22)43-36-32(28)35(41)44-38(45-36)47-16-13-25-20-26(10-11-27(25)21-47)30-23(2)42-24(3)31(34(37(48)49)50-39(4,5)6)33(30)46-17-14-40(7,8)15-18-46/h9-12,19-20,34H,13-18,21H2,1-8H3,(H,48,49)(H,43,44,45)/t34-/m0/s1
PDB

UniProtKB/TrEMBL

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PC sid
UniChem
US Patent
n/an/an/an/a 5n/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)

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=1S/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-/m0/s1
PDB

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PC sid
UniChem
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)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357268
PNG
(US10214516, Compound 15)
Show SMILES CCn1c2ccc(C)cc2c2ncnc(N3CCc4cc(ccc4C3)-c3c(C)nc(C)c([C@H](OC(C)(C)C)C(O)=O)c3N3CCC(C)(C)CC3)c12
Show InChI InChI=1S/C42H52N6O3/c1-10-48-32-14-11-25(2)21-31(32)35-37(48)39(44-24-43-35)47-18-15-28-22-29(12-13-30(28)23-47)33-26(3)45-27(4)34(38(40(49)50)51-41(5,6)7)36(33)46-19-16-42(8,9)17-20-46/h11-14,21-22,24,38H,10,15-20,23H2,1-9H3,(H,49,50)/t38-/m0/s1
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/an/an/a 45n/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)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM357259
PNG
(US10214516, Compound 5)
Show SMILES Cc1nc(C)c(-c2ccc3CN(CCc3c2)c2ncnc3c4ccccc4[nH]c23)c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C39H46N6O3/c1-23-30(34(44-18-15-39(6,7)16-19-44)31(24(2)42-23)35(37(46)47)48-38(3,4)5)26-12-13-27-21-45(17-14-25(27)20-26)36-33-32(40-22-41-36)28-10-8-9-11-29(28)43-33/h8-13,20,22,35,43H,14-19,21H2,1-7H3,(H,46,47)/t35-/m0/s1
PDB

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UniChem
US Patent
n/an/an/an/a 24n/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)

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=1S/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-/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
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)

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