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Compile Data Set for Download or QSAR

Found 19 hits of ec50 for UniProtKB: P03377   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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...)
BDBM272533
PNG
(US10065953, Example 15 | US10065953, Example 16)
Show SMILES Cc1cc2nc(cn2c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C36H34F2N2O4/c1-20-16-30-39-29(24-9-6-8-23(17-24)22-11-13-25(37)14-12-22)19-40(30)32(31(20)34(35(41)42)44-36(3,4)5)27-18-28(38)33-26(21(27)2)10-7-15-43-33/h6,8-9,11-14,16-19,34H,7,10,15H2,1-5H3,(H,41,42)/t34-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272527
PNG
(US10065953, Example 9)
Show SMILES Cc1cc2nc(cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C31H39N5O3/c1-20-15-25-33-24(22-10-8-9-21(16-22)23-17-32-34(7)18-23)19-36(25)28(35-13-11-31(5,6)12-14-35)26(20)27(29(37)38)39-30(2,3)4/h8-10,15-19,27H,11-14H2,1-7H3,(H,37,38)/t27-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272525
PNG
(US10065953, Example 7)
Show SMILES Cc1cc2nc(cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C34H38N4O3/c1-22-17-28-36-27(26-12-8-11-25(19-26)24-10-7-9-23(18-24)20-35)21-38(28)31(37-15-13-34(5,6)14-16-37)29(22)30(32(39)40)41-33(2,3)4/h7-12,17-19,21,30H,13-16H2,1-6H3,(H,39,40)/t30-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272528
PNG
(US10065953, Example 10)
Show SMILES Cc1cc(-c2cccc(c2)-c2cn3c(N4CCC(C)(C)CC4)c([C@H](OC(C)(C)C)C(O)=O)c(C)cc3n2)n(C)n1
Show InChI InChI=1S/C32H41N5O3/c1-20-16-26-33-24(22-10-9-11-23(18-22)25-17-21(2)34-35(25)8)19-37(26)29(36-14-12-32(6,7)13-15-36)27(20)28(30(38)39)40-31(3,4)5/h9-11,16-19,28H,12-15H2,1-8H3,(H,38,39)/t28-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272536
PNG
(US10065953, Example 18)
Show SMILES Cc1cc2nc(cn2c(-c2ccc3OCCCc3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C35H33FN2O4/c1-21-17-30-37-28(24-8-5-7-23(18-24)22-10-13-27(36)14-11-22)20-38(30)32(31(21)33(34(39)40)42-35(2,3)4)26-12-15-29-25(19-26)9-6-16-41-29/h5,7-8,10-15,17-20,33H,6,9,16H2,1-4H3,(H,39,40)/t33-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272530
PNG
(US10065953, Example 12 | US10065953, Example 13)
Show SMILES Cc1cc2nc(cn2c(c1[C@H](OC(C)(C)C)C(O)=O)-c1ccc2OCCc3ccnc1c23)-c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C37H32FN3O4/c1-21-18-30-40-28(25-7-5-6-24(19-25)22-8-10-26(38)11-9-22)20-41(30)34(31(21)35(36(42)43)45-37(2,3)4)27-12-13-29-32-23(15-17-44-29)14-16-39-33(27)32/h5-14,16,18-20,35H,15,17H2,1-4H3,(H,42,43)/t35-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272532
PNG
(US10065953, Example 14)
Show SMILES Cc1ccc(cc1)-c1c([C@H](OC(C)(C)C)C(O)=O)c(C)cc2nc(cn12)-c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H31FN2O3/c1-20-9-11-23(12-10-20)30-29(31(32(37)38)39-33(3,4)5)21(2)17-28-35-27(19-36(28)30)25-8-6-7-24(18-25)22-13-15-26(34)16-14-22/h6-19,31H,1-5H3,(H,37,38)/t31-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272522
PNG
(US10065953, Example 4)
Show SMILES Cc1cc2nc(cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1cccc(F)c1
Show InChI InChI=1S/C33H38FN3O3/c1-21-17-27-35-26(24-11-7-9-22(18-24)23-10-8-12-25(34)19-23)20-37(27)30(36-15-13-33(5,6)14-16-36)28(21)29(31(38)39)40-32(2,3)4/h7-12,17-20,29H,13-16H2,1-6H3,(H,38,39)/t29-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272524
PNG
(US10065953, Example 6)
Show SMILES Cc1ccc(c(F)c1)-c1cccc(c1)-c1cn2c(N3CCC(C)(C)CC3)c([C@H](OC(C)(C)C)C(O)=O)c(C)cc2n1
Show InChI InChI=1S/C34H40FN3O3/c1-21-11-12-25(26(35)17-21)23-9-8-10-24(19-23)27-20-38-28(36-27)18-22(2)29(30(32(39)40)41-33(3,4)5)31(38)37-15-13-34(6,7)14-16-37/h8-12,17-20,30H,13-16H2,1-7H3,(H,39,40)/t30-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272529
PNG
(US10065953, Example 11)
Show SMILES Cc1cc2nc(cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1cc(nn1C)C(F)(F)F
Show InChI InChI=1S/C32H38F3N5O3/c1-19-15-25-36-22(20-9-8-10-21(16-20)23-17-24(32(33,34)35)37-38(23)7)18-40(25)28(39-13-11-31(5,6)12-14-39)26(19)27(29(41)42)43-30(2,3)4/h8-10,15-18,27H,11-14H2,1-7H3,(H,41,42)/t27-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272526
PNG
(US10065953, Example 8)
Show SMILES Cc1cc2nc(cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1cnn(Cc2ccccc2)c1
Show InChI InChI=1S/C37H43N5O3/c1-25-19-31-39-30(28-14-10-13-27(20-28)29-21-38-41(23-29)22-26-11-8-7-9-12-26)24-42(31)34(40-17-15-37(5,6)16-18-40)32(25)33(35(43)44)45-36(2,3)4/h7-14,19-21,23-24,33H,15-18,22H2,1-6H3,(H,43,44)/t33-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272521
PNG
(US10065953, Example 3)
Show SMILES Cc1cc2nc(cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H38FN3O3/c1-21-18-27-35-26(24-9-7-8-23(19-24)22-10-12-25(34)13-11-22)20-37(27)30(36-16-14-33(5,6)15-17-36)28(21)29(31(38)39)40-32(2,3)4/h7-13,18-20,29H,14-17H2,1-6H3,(H,38,39)/t29-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272523
PNG
(US10065953, Example 5)
Show SMILES Cc1cc2nc(cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccc(F)cc1F
Show InChI InChI=1S/C33H37F2N3O3/c1-20-16-27-36-26(22-9-7-8-21(17-22)24-11-10-23(34)18-25(24)35)19-38(27)30(37-14-12-33(5,6)13-15-37)28(20)29(31(39)40)41-32(2,3)4/h7-11,16-19,29H,12-15H2,1-6H3,(H,39,40)/t29-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272520
PNG
(US10065953, Example 2)
Show SMILES Cc1ccc(cc1)-c1cccc(c1)-c1cn2c(N3CCC(C)(C)CC3)c([C@H](OC(C)(C)C)C(O)=O)c(C)cc2n1
Show InChI InChI=1S/C34H41N3O3/c1-22-11-13-24(14-12-22)25-9-8-10-26(20-25)27-21-37-28(35-27)19-23(2)29(30(32(38)39)40-33(3,4)5)31(37)36-17-15-34(6,7)16-18-36/h8-14,19-21,30H,15-18H2,1-7H3,(H,38,39)/t30-/m0/s1
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n/an/an/an/a 32n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272519
PNG
(US10065953, Example 1)
Show SMILES Cc1cc2nc(cn2c(N2CCC(C)(C)CC2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C33H39N3O3/c1-22-19-27-34-26(25-14-10-13-24(20-25)23-11-8-7-9-12-23)21-36(27)30(35-17-15-33(5,6)16-18-35)28(22)29(31(37)38)39-32(2,3)4/h7-14,19-21,29H,15-18H2,1-6H3,(H,37,38)/t29-/m0/s1
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n/an/an/an/a 51n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272537
PNG
(US10065953, Example 19)
Show SMILES Cc1cc2nc(cn2c(-c2ccc3OCCC(C)(C)c3c2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C37H37FN2O4/c1-22-18-31-39-29(25-9-7-8-24(19-25)23-10-13-27(38)14-11-23)21-40(31)33(32(22)34(35(41)42)44-36(2,3)4)26-12-15-30-28(20-26)37(5,6)16-17-43-30/h7-15,18-21,34H,16-17H2,1-6H3,(H,41,42)/t34-/m0/s1
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n/an/an/an/a 95n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272535
PNG
(US10065953, Example 17)
Show SMILES Cc1cc2nc(cn2c(-c2ccc(F)cc2)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H28F2N2O3/c1-19-16-27-35-26(23-7-5-6-22(17-23)20-8-12-24(33)13-9-20)18-36(27)29(21-10-14-25(34)15-11-21)28(19)30(31(37)38)39-32(2,3)4/h5-18,30H,1-4H3,(H,37,38)/t30-/m0/s1
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n/an/an/an/a 159n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272533
PNG
(US10065953, Example 15 | US10065953, Example 16)
Show SMILES Cc1cc2nc(cn2c(-c2cc(F)c3OCCCc3c2C)c1[C@H](OC(C)(C)C)C(O)=O)-c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C36H34F2N2O4/c1-20-16-30-39-29(24-9-6-8-23(17-24)22-11-13-25(37)14-12-22)19-40(30)32(31(20)34(35(41)42)44-36(3,4)5)27-18-28(38)33-26(21(27)2)10-7-15-43-33/h6,8-9,11-14,16-19,34H,7,10,15H2,1-5H3,(H,41,42)/t34-/m0/s1
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n/an/an/an/a 175n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM272530
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(US10065953, Example 12 | US10065953, Example 13)
Show SMILES Cc1cc2nc(cn2c(c1[C@H](OC(C)(C)C)C(O)=O)-c1ccc2OCCc3ccnc1c23)-c1cccc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C37H32FN3O4/c1-21-18-30-40-28(25-7-5-6-24(19-25)22-8-10-26(38)11-9-22)20-41(30)34(31(21)35(36(42)43)45-37(2,3)4)27-12-13-29-32-23(15-17-44-29)14-16-39-33(27)32/h5-14,16,18-20,35H,15,17H2,1-4H3,(H,42,43)/t35-/m0/s1
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n/an/an/an/a 398n/an/an/an/a



ViiV HEALTHCARE UK (NO.5) LIMITED

US Patent


Assay Description
A recombinant NL-Rluc virus was constructed in which a section of the nef gene from NL4-3 was replaced with the Renilla Luciferase gene. The NL-RLuc ...


US Patent US10065953 (2018)

More data for this
Ligand-Target Pair