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Compile Data Set for Download or QSAR

Found 163 hits of ec50 data for polymerid = 2306   
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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288119
PNG
(Production of 7′-(3-chloro-2-fluorobenzylcar...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(C)=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C24H25ClFN3O6/c1-13(30)35-21-19-23(33)28(2)12-24(7-14(8-24)11-34-3)29(19)10-16(20(21)31)22(32)27-9-15-5-4-6-17(25)18(15)26/h4-6,10,14H,7-9,11-12H2,1-3H3,(H,27,32)/t14-,24+
PDB
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n/an/an/an/a 0.700n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288127
PNG
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C26H29ClFN3O6/c1-14(2)25(35)37-22-20-24(34)30(3)13-26(8-15(9-26)12-36-4)31(20)11-17(21(22)32)23(33)29-10-16-6-5-7-18(27)19(16)28/h5-7,11,14-15H,8-10,12-13H2,1-4H3,(H,29,33)/t15-,26+
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n/an/an/an/a 0.700n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288106
PNG
(Production of Monosodium 7′-(3-chloro-2-fluo...)
Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[Na])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C21H21ClFN3O5.Na/c1-25-10-21(6-12(7-21)31-2)26-9-13(17(27)18(28)16(26)20(25)30)19(29)24-8-11-4-3-5-14(22)15(11)23;/h3-5,9,12,28H,6-8,10H2,1-2H3,(H,24,29);/q;+1/p-1/t12-,21+;
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n/an/an/an/a 0.900n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288126
PNG
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)
Show SMILES CCC(=O)Oc1c2C(=O)N(C)C[C@]3(C[C@H](COC)C3)n2cc(C(=O)NCc2cccc(Cl)c2F)c1=O
Show InChI InChI=1S/C25H27ClFN3O6/c1-4-18(31)36-22-20-24(34)29(2)13-25(8-14(9-25)12-35-3)30(20)11-16(21(22)32)23(33)28-10-15-6-5-7-17(26)19(15)27/h5-7,11,14H,4,8-10,12-13H2,1-3H3,(H,28,33)/t14-,25+
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n/an/an/an/a 0.900n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288115
PNG
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12-,22+
PDB
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n/an/an/an/a 0.900n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288131
PNG
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)c3ccc(C)cc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C30H29ClFN3O6/c1-17-7-9-19(10-8-17)29(39)41-26-24-28(38)34(2)16-30(11-18(12-30)15-40-3)35(24)14-21(25(26)36)27(37)33-13-20-5-4-6-22(31)23(20)32/h4-10,14,18H,11-13,15-16H2,1-3H3,(H,33,37)/t18-,30+
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n/an/an/an/a 0.900n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288113
PNG
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12-,22+
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n/an/an/an/a 0.900n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288125
PNG
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-meth...)
Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C25H27ClFN3O6/c1-13(2)24(34)36-21-19-23(33)29(3)12-25(8-15(9-25)35-4)30(19)11-16(20(21)31)22(32)28-10-14-6-5-7-17(26)18(14)27/h5-7,11,13,15H,8-10,12H2,1-4H3,(H,28,32)/t15-,25+
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n/an/an/an/a 0.900n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288122
PNG
(US10087178, Example 40)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)c3cccc(c3)C([O-])=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C30H27ClFN3O8/c1-34-15-30(10-16(11-30)14-42-2)35-13-20(26(37)33-12-19-7-4-8-21(31)22(19)32)24(36)25(23(35)27(34)38)43-29(41)18-6-3-5-17(9-18)28(39)40/h3-9,13,16H,10-12,14-15H2,1-2H3,(H,33,37)(H,39,40)/p-1/t16-,30+
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n/an/an/an/a 1n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288124
PNG
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-meth...)
Show SMILES CCC(=O)Oc1c2C(=O)N(C)C[C@]3(C[C@@H](C3)OC)n2cc(C(=O)NCc2cccc(Cl)c2F)c1=O
Show InChI InChI=1S/C24H25ClFN3O6/c1-4-17(30)35-21-19-23(33)28(2)12-24(8-14(9-24)34-3)29(19)11-15(20(21)31)22(32)27-10-13-6-5-7-16(25)18(13)26/h5-7,11,14H,4,8-10,12H2,1-3H3,(H,27,32)/t14-,24+
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n/an/an/an/a 1n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288128
PNG
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)
Show SMILES CCCCCCCCCCCCCCCC(=O)Oc1c2C(=O)N(C)C[C@]3(C[C@H](COC)C3)n2cc(C(=O)NCc2cccc(Cl)c2F)c1=O
Show InChI InChI=1S/C38H53ClFN3O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31(44)49-35-33-37(47)42(2)26-38(21-27(22-38)25-48-3)43(33)24-29(34(35)45)36(46)41-23-28-18-17-19-30(39)32(28)40/h17-19,24,27H,4-16,20-23,25-26H2,1-3H3,(H,41,46)/t27-,38+
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n/an/an/an/a 1n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288112
PNG
(US10087178, Example 30)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[Ca]Oc3c4C(=O)N(C)C[C@]5(C[C@H](COC)C5)n4cc(C(=O)NCc4cccc(Cl)c4F)c3=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/2C22H23ClFN3O5.Ca/c2*1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24;/h2*3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30);/q;;+2/p-2/t2*12-,22+;
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n/an/an/an/a 1.10n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288132
PNG
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)CN(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C26H30ClFN4O6/c1-30(2)12-19(33)38-23-21-25(36)31(3)14-26(8-15(9-26)13-37-4)32(21)11-17(22(23)34)24(35)29-10-16-6-5-7-18(27)20(16)28/h5-7,11,15H,8-10,12-14H2,1-4H3,(H,29,35)/t15-,26+
PDB
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n/an/an/an/a 1.10n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288129
PNG
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)c3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C29H27ClFN3O6/c1-33-16-29(11-17(12-29)15-39-2)34-14-20(26(36)32-13-19-9-6-10-21(30)22(19)31)24(35)25(23(34)27(33)37)40-28(38)18-7-4-3-5-8-18/h3-10,14,17H,11-13,15-16H2,1-2H3,(H,32,36)/t17-,29+
PDB
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n/an/an/an/a 1.40n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288121
PNG
(Production of (E)-4-[7′-(3-chloro-2-fluorobe...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)\C=C\C(O)=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C26H25ClFN3O8/c1-30-13-26(8-14(9-26)12-38-2)31-11-16(24(36)29-10-15-4-3-5-17(27)20(15)28)22(35)23(21(31)25(30)37)39-19(34)7-6-18(32)33/h3-7,11,14H,8-10,12-13H2,1-2H3,(H,29,36)(H,32,33)/b7-6+/t14-,26+
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n/an/an/an/a 1.40n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288109
PNG
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)
Show SMILES COC[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(OCc3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C29H29ClFN3O5/c1-33-17-29(11-19(12-29)15-38-2)34-14-21(27(36)32-13-20-9-6-10-22(30)23(20)31)25(35)26(24(34)28(33)37)39-16-18-7-4-3-5-8-18/h3-10,14,19H,11-13,15-17H2,1-2H3,(H,32,36)/t19-,29-
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n/an/an/an/a 1.5n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288105
PNG
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)
Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OCc3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C28H27ClFN3O5/c1-32-16-28(11-19(12-28)37-2)33-14-20(26(35)31-13-18-9-6-10-21(29)22(18)30)24(34)25(23(33)27(32)36)38-15-17-7-4-3-5-8-17/h3-10,14,19H,11-13,15-16H2,1-2H3,(H,31,35)/t19-,28+
PDB
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n/an/an/an/a 1.60n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288130
PNG
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-(met...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)C(C)(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C27H31ClFN3O6/c1-26(2,3)25(36)38-22-20-24(35)31(4)14-27(9-15(10-27)13-37-5)32(20)12-17(21(22)33)23(34)30-11-16-7-6-8-18(28)19(16)29/h6-8,12,15H,9-11,13-14H2,1-5H3,(H,30,34)/t15-,27+
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n/an/an/an/a 1.90n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288172
PNG
((1S,2S)-N-(2,4- difluorobenzyl)-2'-ethyl-9'- hydro...)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1COC)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C22H23F2N3O5/c1-3-27-21(31)17-19(29)18(28)15(9-26(17)11-22(27)7-13(22)10-32-2)20(30)25-8-12-4-5-14(23)6-16(12)24/h4-6,9,13,29H,3,7-8,10-11H2,1-2H3,(H,25,30)/t13-,22-/m1/s1
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n/an/an/an/a 1.90n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288108
PNG
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OCc3ccccc3)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C29H29ClFN3O5/c1-33-17-29(11-19(12-29)15-38-2)34-14-21(27(36)32-13-20-9-6-10-22(30)23(20)31)25(35)26(24(34)28(33)37)39-16-18-7-4-3-5-8-18/h3-10,14,19H,11-13,15-17H2,1-2H3,(H,32,36)/t19-,29+
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n/an/an/an/a 1.90n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288113
PNG
(Production of N-(3-chloro-2-fluorobenzyl)-9′...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12-,22+
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n/an/an/an/a 1.90n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288024
PNG
(US10087178, Example 6)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(10-26(17)11-22(27)7-13(8-22)32-2)20(30)25-9-12-5-4-6-15(23)16(12)24/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30)/t13-,22+
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n/an/an/an/a 2n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288107
PNG
(Production of Monopotassium 7′-(3-chloro-2-f...)
Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[K])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C21H21ClFN3O5.K/c1-25-10-21(6-12(7-21)31-2)26-9-13(17(27)18(28)16(26)20(25)30)19(29)24-8-11-4-3-5-14(22)15(11)23;/h3-5,9,12,28H,6-8,10H2,1-2H3,(H,24,29);/q;+1/p-1/t12-,21+;
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n/an/an/an/a 2.10n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288110
PNG
(Production of Monosodium 7′-(3-chloro-2-fluo...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[Na])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5.Na/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24;/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30);/q;+1/p-1/t12-,22+;
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n/an/an/an/a 2.20n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288173
PNG
((1S,2S)-N-(2,4- difluorobenzyl)-9'-hydroxy- 2'-iso...)
Show SMILES COC[C@H]1C[C@@]11Cn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)28-22(32)18-20(30)19(29)16(9-27(18)11-23(28)7-14(23)10-33-3)21(31)26-8-13-4-5-15(24)6-17(13)25/h4-6,9,12,14,30H,7-8,10-11H2,1-3H3,(H,26,31)/t14-,23-/m1/s1
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n/an/an/an/a 2.20n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288080
PNG
(N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-trans-3- i...)
Show SMILES CC(C)O[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H25ClFN3O5/c1-12(2)33-14-7-23(8-14)11-27(3)22(32)18-20(30)19(29)15(10-28(18)23)21(31)26-9-13-5-4-6-16(24)17(13)25/h4-6,10,12,14,30H,7-9,11H2,1-3H3,(H,26,31)/t14-,23-
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n/an/an/an/a 2.30n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288091
PNG
(N-(2,4-difluorobenzyl)-cis- 3-ethoxy-9'-hydroxy-2'...)
Show SMILES CCO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C22H23F2N3O5/c1-3-32-14-7-22(8-14)11-26(2)21(31)17-19(29)18(28)15(10-27(17)22)20(30)25-9-12-4-5-13(23)6-16(12)24/h4-6,10,14,29H,3,7-9,11H2,1-2H3,(H,25,30)/t14-,22+
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n/an/an/an/a 2.40n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288111
PNG
(Production of Monopotassium 7′-(3-chloro-2-f...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O[K])c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5.K/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24;/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30);/q;+1/p-1/t12-,22+;
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n/an/an/an/a 2.5n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288037
PNG
(US10087178, Example 18)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@H]1COC)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(9-26(17)11-22(27)7-13(22)10-32-2)20(30)25-8-12-5-4-6-15(23)16(12)24/h4-6,9,13,29H,3,7-8,10-11H2,1-2H3,(H,25,30)/t13-,22-/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288118
PNG
(Production of Monopotassium 7′-(3-chloro-2-f...)
Show SMILES CCN1C(=O)c2c(O[K])c(=O)c(cn2C[C@@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5.K/c1-3-27-21(31)17-19(29)18(28)14(10-26(17)11-22(27)7-13(8-22)32-2)20(30)25-9-12-5-4-6-15(23)16(12)24;/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30);/q;+1/p-1/t13-,22-;
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n/an/an/an/a 2.60n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288123
PNG
(7'-(3-chloro-2- fluorobenzylcarbamoyl)-cis- 3-meth...)
Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(C)=O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H23ClFN3O6/c1-12(29)34-20-18-22(32)27(2)11-23(7-14(8-23)33-3)28(18)10-15(19(20)30)21(31)26-9-13-5-4-6-16(24)17(13)25/h4-6,10,14H,7-9,11H2,1-3H3,(H,26,31)/t14-,23+
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n/an/an/an/a 2.80n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288171
PNG
((1S,2S)-N-(2,4- difluorobenzyl)-2'-ethyl-9'- hydro...)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1CO)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C21H21F2N3O5/c1-2-26-20(31)16-18(29)17(28)14(8-25(16)10-21(26)6-12(21)9-27)19(30)24-7-11-3-4-13(22)5-15(11)23/h3-5,8,12,27,29H,2,6-7,9-10H2,1H3,(H,24,30)/t12-,21-/m1/s1
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n/an/an/an/a 2.80n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288022
PNG
(US10087178, Example 4)
Show SMILES COC[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12-,22-
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n/an/an/an/a 2.90n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288023
PNG
(US10087178, Example 5)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11CC(C1)OC)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(10-26(17)11-22(27)7-13(8-22)32-2)20(30)25-9-12-5-4-6-15(23)16(12)24/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30)/t13?,22-
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n/an/an/an/a 2.90n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288019
PNG
(US10087178, Example 1)
Show SMILES CO[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C21H21ClFN3O5/c1-25-10-21(6-12(7-21)31-2)26-9-13(17(27)18(28)16(26)20(25)30)19(29)24-8-11-4-3-5-14(22)15(11)23/h3-5,9,12,28H,6-8,10H2,1-2H3,(H,24,29)/t12-,21+
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n/an/an/an/a 3.10n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288156
PNG
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2-...)
Show SMILES COC[C@@H]1C[C@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C21H21ClFN3O5/c1-25-10-21(6-12(21)9-31-2)26-8-13(17(27)18(28)16(26)20(25)30)19(29)24-7-11-4-3-5-14(22)15(11)23/h3-5,8,12,28H,6-7,9-10H2,1-2H3,(H,24,29)/t12-,21-/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288021
PNG
(US10087178, Example 3)
Show SMILES COCC1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-26-11-22(6-12(7-22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,29H,6-8,10-11H2,1-2H3,(H,25,30)/t12?,22-
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n/an/an/an/a 3.20n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288116
PNG
(Production of N-(3-chloro-2-fluorobenzyl)-2′...)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(10-26(17)11-22(27)7-13(8-22)32-2)20(30)25-9-12-5-4-6-15(23)16(12)24/h4-6,10,13,29H,3,7-9,11H2,1-2H3,(H,25,30)/t13-,22-
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n/an/an/an/a 3.20n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288164
PNG
((1S,2S)-N7'-(3-chloro-2- fluorobenzyl)-2'-cyclopro...)
Show SMILES CN(C)C(=O)[C@H]1C[C@@]11CN(C2CC2)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C24H24ClFN4O5/c1-28(2)22(34)15-8-24(15)11-29(13-6-7-13)23(35)18-20(32)19(31)14(10-30(18)24)21(33)27-9-12-4-3-5-16(25)17(12)26/h3-5,10,13,15,32H,6-9,11H2,1-2H3,(H,27,33)/t15-,24-/m1/s1
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n/an/an/an/a 3.30n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288165
PNG
((1R,2R)-N7'-(3-chloro-2- fluorobenzyl)-2'-cyclopro...)
Show SMILES CN(C)C(=O)[C@@H]1C[C@]11CN(C2CC2)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C24H24ClFN4O5/c1-28(2)22(34)15-8-24(15)11-29(13-6-7-13)23(35)18-20(32)19(31)14(10-30(18)24)21(33)27-9-12-4-3-5-16(25)17(12)26/h3-5,10,13,15,32H,6-9,11H2,1-2H3,(H,27,33)/t15-,24-/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288066
PNG
(N-(3-chloro-2-fluorobenzyl)- trans-3,9'-dihydroxy-...)
Show SMILES CN1C[C@@]2(C[C@H](O)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C20H19ClFN3O5/c1-24-9-20(5-11(26)6-20)25-8-12(16(27)17(28)15(25)19(24)30)18(29)23-7-10-3-2-4-13(21)14(10)22/h2-4,8,11,26,28H,5-7,9H2,1H3,(H,23,29)/t11-,20-
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n/an/an/an/a 3.40n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288036
PNG
(US10087178, Example 17)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1COC)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-3-27-21(31)17-19(29)18(28)14(9-26(17)11-22(27)7-13(22)10-32-2)20(30)25-8-12-5-4-6-15(23)16(12)24/h4-6,9,13,29H,3,7-8,10-11H2,1-2H3,(H,25,30)/t13-,22-/m1/s1
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n/an/an/an/a 3.40n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288178
PNG
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-2'-ethyl-9'- ...)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@H]1CO)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C21H21ClFN3O5/c1-2-26-20(31)16-18(29)17(28)13(8-25(16)10-21(26)6-12(21)9-27)19(30)24-7-11-4-3-5-14(22)15(11)23/h3-5,8,12,27,29H,2,6-7,9-10H2,1H3,(H,24,30)/t12-,21-/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288145
PNG
((1S,2S)-N7'-(3-chloro-2- fluorobenzyl)-9'-hydroxy-...)
Show SMILES CC(C)N1C[C@@]2(C[C@@H]2C(=O)N(C)C)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C24H26ClFN4O5/c1-12(2)29-11-24(8-15(24)22(34)28(3)4)30-10-14(19(31)20(32)18(30)23(29)35)21(33)27-9-13-6-5-7-16(25)17(13)26/h5-7,10,12,15,32H,8-9,11H2,1-4H3,(H,27,33)/t15-,24-/m1/s1
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n/an/an/an/a 3.40n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288152
PNG
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-2'-ethyl-9'- ...)
Show SMILES CCN1C[C@]2(C[C@H]2COC)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23ClFN3O5/c1-3-26-11-22(7-13(22)10-32-2)27-9-14(18(28)19(29)17(27)21(26)31)20(30)25-8-12-5-4-6-15(23)16(12)24/h4-6,9,13,29H,3,7-8,10-11H2,1-2H3,(H,25,30)/t13-,22-/m0/s1
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n/an/an/an/a 3.5n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288079
PNG
(N-(3-chloro-2-fluorobenzyl)- cis-3-(ethoxymethyl)-...)
Show SMILES CCOC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H25ClFN3O5/c1-3-33-11-13-7-23(8-13)12-27(2)22(32)18-20(30)19(29)15(10-28(18)23)21(31)26-9-14-5-4-6-16(24)17(14)25/h4-6,10,13,30H,3,7-9,11-12H2,1-2H3,(H,26,31)/t13-,23+
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n/an/an/an/a 3.5n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288081
PNG
(N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-cis-3-isop...)
Show SMILES CC(C)O[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H25ClFN3O5/c1-12(2)33-14-7-23(8-14)11-27(3)22(32)18-20(30)19(29)15(10-28(18)23)21(31)26-9-13-5-4-6-16(24)17(13)25/h4-6,10,12,14,30H,7-9,11H2,1-3H3,(H,26,31)/t14-,23+
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n/an/an/an/a 3.5n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288087
PNG
(N-(3-chloro-2-fluorobenzyl)- 2'-ethyl-9'-hydroxy-c...)
Show SMILES CCN1C[C@]2(C[C@H](COC)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H25ClFN3O5/c1-3-27-12-23(7-13(8-23)11-33-2)28-10-15(19(29)20(30)18(28)22(27)32)21(31)26-9-14-5-4-6-16(24)17(14)25/h4-6,10,13,30H,3,7-9,11-12H2,1-2H3,(H,26,31)/t13-,23+
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n/an/an/an/a 3.5n/an/an/an/a



JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288092
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-tr...)
Show SMILES CO[C@H]1C[C@]2(C1)Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C(=O)N2C(C)C
Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)28-22(32)18-20(30)19(29)16(10-27(18)11-23(28)7-15(8-23)33-3)21(31)26-9-13-4-5-14(24)6-17(13)25/h4-6,10,12,15,30H,7-9,11H2,1-3H3,(H,26,31)/t15-,23-
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JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

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


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288060
PNG
(N-(2,4-difluorobenzyl)-2'- ethyl-9'-hydroxy-cis-3-...)
Show SMILES CCN1C[C@]2(C[C@@H](C2)OC)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23F2N3O5/c1-3-26-11-22(7-14(8-22)32-2)27-10-15(18(28)19(29)17(27)21(26)31)20(30)25-9-12-4-5-13(23)6-16(12)24/h4-6,10,14,29H,3,7-9,11H2,1-2H3,(H,25,30)/t14-,22+
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JAPAN TOBACCO INC.

US Patent


Assay Description
The medium (40 μL), a test substance (10 μL) diluted with the medium, and a 1105 cells/mL MT-4 cell suspension (50 μL) wherein HIV-1 ...


US Patent US10087178 (2018)

More data for this
Ligand-Target Pair
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