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Patent code US10087178

Compile Data Set for Download or QSAR
Found 163 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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288028
PNG
(US10087178, Example 9)
Show SMILES CC(C)N1C[C@@]2(C[C@@H]2CO)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-13(22)9-28)27-8-15(18(29)19(30)17(27)21(26)32)20(31)25-7-12-3-4-14(23)5-16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22-/m1/s1
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n/an/an/an/a 5.60n/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...)
BDBM288031
PNG
(US10087178, Example 12 | US10087178, Example 16)
Show SMILES COC[C@@H]1C[C@@]11CN(C(C)C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-14(23)10-33-3)28-9-16(19(29)20(30)18(28)22(27)32)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+/m0/s1
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n/an/an/an/a 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...)
BDBM288032
PNG
(US10087178, Example 13)
Show SMILES CC(C)N1C[C@]2(C[C@@H]2CO)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-13(22)9-28)27-8-15(18(29)19(30)17(27)21(26)32)20(31)25-7-12-3-4-14(23)5-16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22+/m1/s1
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n/an/an/an/a 5.40n/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...)
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...)
BDBM288039
PNG
(US10087178, Example 20)
Show SMILES CC(C)N1CC2(CC(C2)N(C)C(C)=O)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C25H28F2N4O5/c1-13(2)30-12-25(8-17(9-25)29(4)14(3)32)31-11-18(21(33)22(34)20(31)24(30)36)23(35)28-10-15-5-6-16(26)7-19(15)27/h5-7,11,13,17,34H,8-10,12H2,1-4H3,(H,28,35)
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n/an/an/an/a 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...)
BDBM288041
PNG
(US10087178, Example S1 | trans-3-(benzyloxy)-N-(2,...)
Show SMILES CC(C)N1C[C@@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C29H29F2N3O5/c1-17(2)33-16-29(11-21(12-29)39-15-18-6-4-3-5-7-18)34-14-22(25(35)26(36)24(34)28(33)38)27(37)32-13-19-8-9-20(30)10-23(19)31/h3-10,14,17,21,36H,11-13,15-16H2,1-2H3,(H,32,37)/t21-,29-
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n/an/an/an/a 7.70n/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...)
BDBM288055
PNG
(US10087178, Example S15 | trans-3-(benzyloxy)-N-(2...)
Show SMILES CCN1C[C@@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C28H27F2N3O5/c1-2-32-16-28(11-20(12-28)38-15-17-6-4-3-5-7-17)33-14-21(24(34)25(35)23(33)27(32)37)26(36)31-13-18-8-9-19(29)10-22(18)30/h3-10,14,20,35H,2,11-13,15-16H2,1H3,(H,31,36)/t20-,28-
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n/an/an/an/a 6.90n/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...)
BDBM288058
PNG
(N-(2,4-difluorobenzyl)-2'- ethyl-cis-3,9'-dihydrox...)
Show SMILES CCN1C[C@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21F2N3O5/c1-2-25-10-21(6-13(27)7-21)26-9-14(17(28)18(29)16(26)20(25)31)19(30)24-8-11-3-4-12(22)5-15(11)23/h3-5,9,13,27,29H,2,6-8,10H2,1H3,(H,24,30)/t13-,21+
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n/an/an/an/a 16n/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...)
BDBM288065
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-tr...)
Show SMILES COC[C@H]1C[C@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C24H27F2N3O5/c1-13(2)28-12-24(7-14(8-24)11-34-3)29-10-17(20(30)21(31)19(29)23(28)33)22(32)27-9-15-4-5-16(25)6-18(15)26/h4-6,10,13-14,31H,7-9,11-12H2,1-3H3,(H,27,32)/t14-,24-
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n/an/an/an/a 7n/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...)
BDBM288085
PNG
(N-(3-chloro-2-fluorobenzyl)- 2'-ethyl-9'-hydroxy-t...)
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 3.90n/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...)
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...)
BDBM288095
PNG
(N-(2,4-difluorobenzyl)-cis- 3,9'-dihydroxy-2'-isop...)
Show SMILES CC(C)N1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@H](O)C1)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)27-21(32)17-19(30)18(29)15(9-26(17)10-22(27)6-14(28)7-22)20(31)25-8-12-3-4-13(23)5-16(12)24/h3-5,9,11,14,28,30H,6-8,10H2,1-2H3,(H,25,31)/t14-,22+
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n/an/an/an/a 33n/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...)
BDBM288096
PNG
(N-(3-chloro-2-fluorobenzyl)- trans-3-ethoxy-2'-eth...)
Show SMILES CCO[C@H]1C[C@]2(C1)Cn1cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c1C(=O)N2CC
Show InChI InChI=1S/C23H25ClFN3O5/c1-3-28-22(32)18-20(30)19(29)15(11-27(18)12-23(28)8-14(9-23)33-4-2)21(31)26-10-13-6-5-7-16(24)17(13)25/h5-7,11,14,30H,3-4,8-10,12H2,1-2H3,(H,26,31)/t14-,23-
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n/an/an/an/a 5.10n/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...)
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+
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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...)
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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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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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+
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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...)
BDBM288136
PNG
((1S,2S)-N-(2,4- difluorobenzyl)-9'-hydroxy-2- (hyd...)
Show SMILES CN1C[C@@]2(C[C@@H]2CO)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C20H19F2N3O5/c1-24-9-20(5-11(20)8-26)25-7-13(16(27)17(28)15(25)19(24)30)18(29)23-6-10-2-3-12(21)4-14(10)22/h2-4,7,11,26,28H,5-6,8-9H2,1H3,(H,23,29)/t11-,20-/m1/s1
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n/an/an/an/a 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...)
BDBM288175
PNG
((1S,2S)-N-(2,4- difluorobenzyl)-2- (ethoxymethyl)-...)
Show SMILES CCOC[C@H]1C[C@@]11Cn2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C24H27F2N3O5/c1-4-34-11-15-8-24(15)12-28-10-17(20(30)21(31)19(28)23(33)29(24)13(2)3)22(32)27-9-14-5-6-16(25)7-18(14)26/h5-7,10,13,15,31H,4,8-9,11-12H2,1-3H3,(H,27,32)/t15-,24-/m1/s1
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n/an/an/an/a 5.30n/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...)
BDBM288020
PNG
(US10087178, Example 2)
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 4.20n/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...)
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...)
BDBM288033
PNG
(US10087178, Example 14)
Show SMILES COC[C@H]1C[C@]11CN(C(C)C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-14(23)10-33-3)28-9-16(19(29)20(30)18(28)22(27)32)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 9.10n/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...)
BDBM288030
PNG
(US10087178, Example 11 | US10087178, Example 15)
Show SMILES CC(C)N1C[C@@]2(C[C@H]2CO)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-13(22)9-28)27-8-15(18(29)19(30)17(27)21(26)32)20(31)25-7-12-3-4-14(23)5-16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22+/m0/s1
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n/an/an/an/a 7.20n/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...)
BDBM288056
PNG
(US10087178, Example S16 | cis-3-(benzyloxy)-N-(2,4...)
Show SMILES CCN1C[C@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C28H27F2N3O5/c1-2-32-16-28(11-20(12-28)38-15-17-6-4-3-5-7-17)33-14-21(24(34)25(35)23(33)27(32)37)26(36)31-13-18-8-9-19(29)10-22(18)30/h3-10,14,20,35H,2,11-13,15-16H2,1H3,(H,31,36)/t20-,28+
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n/an/an/an/a 7.80n/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...)
BDBM288070
PNG
(N7'-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-...)
Show SMILES CNC(=O)[C@H]1C[C@@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C24H26F2N4O5/c1-12(2)29-11-24(7-14(8-24)21(33)27-3)30-10-16(19(31)20(32)18(30)23(29)35)22(34)28-9-13-4-5-15(25)6-17(13)26/h4-6,10,12,14,32H,7-9,11H2,1-3H3,(H,27,33)(H,28,34)/t14-,24+
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n/an/an/an/a 170n/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...)
BDBM288072
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-trans-3-isoprop...)
Show SMILES CC(C)O[C@H]1C[C@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C25H29F2N3O5/c1-13(2)29-12-25(8-17(9-25)35-14(3)4)30-11-18(21(31)22(32)20(30)24(29)34)23(33)28-10-15-5-6-16(26)7-19(15)27/h5-7,11,13-14,17,32H,8-10,12H2,1-4H3,(H,28,33)/t17-,25-
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n/an/an/an/a 6.60n/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...)
BDBM288074
PNG
(7'-(2,4- difluorobenzylcarbamoyl)-9'- hydroxy-2'-i...)
Show SMILES CC(C)N1C[C@@]2(C[C@@H](C2)OS(C)(=O)=O)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H25F2N3O7S/c1-12(2)27-11-23(7-15(8-23)35-36(3,33)34)28-10-16(19(29)20(30)18(28)22(27)32)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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n/an/an/an/a 5.70n/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...)
BDBM288078
PNG
(US10087178, Example S38 | cis-3-(acetamidomethyl)-...)
Show SMILES CC(C)N1C[C@]2(C[C@H](CNC(C)=O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C25H28F2N4O5/c1-13(2)30-12-25(7-15(8-25)9-28-14(3)32)31-11-18(21(33)22(34)20(31)24(30)36)23(35)29-10-16-4-5-17(26)6-19(16)27/h4-6,11,13,15,34H,7-10,12H2,1-3H3,(H,28,32)(H,29,35)/t15-,25+
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n/an/an/an/a 50n/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...)
BDBM288090
PNG
(N-(3-chloro-2-fluoro-4- methoxybenzyl)-9'-hydroxy-...)
Show SMILES COc1ccc(CNC(=O)c2cn3c(C(=O)N(C)C[C@]33C[C@H](CO)C3)c(O)c2=O)c(F)c1Cl
Show InChI InChI=1S/C22H23ClFN3O6/c1-26-10-22(5-11(6-22)9-28)27-8-13(18(29)19(30)17(27)21(26)32)20(31)25-7-12-3-4-14(33-2)15(23)16(12)24/h3-4,8,11,28,30H,5-7,9-10H2,1-2H3,(H,25,31)/t11-,22+
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n/an/an/an/a 37n/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...)
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...)
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...)
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...)
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...)
BDBM288137
PNG
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2-...)
Show SMILES CC(C)N1C[C@]2(C[C@H]2CO)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23ClFN3O5/c1-11(2)26-10-22(6-13(22)9-28)27-8-14(18(29)19(30)17(27)21(26)32)20(31)25-7-12-4-3-5-15(23)16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22-/m0/s1
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n/an/an/an/a 4n/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...)
BDBM288141
PNG
((1R,2R)-N-(2,4- difluorobenzyl)-2'-ethyl-9'- hydro...)
Show SMILES CCN1C[C@]2(C[C@H]2COC)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23F2N3O5/c1-3-26-11-22(7-13(22)10-32-2)27-9-15(18(28)19(29)17(27)21(26)31)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-/m0/s1
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n/an/an/an/a 5.80n/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...)
BDBM288148
PNG
((1S.2S)-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-/m1/s1
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n/an/an/an/a 4.20n/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...)
BDBM288150
PNG
((1S,2S)-N-(3-chloro-2- fluorobenzyl)-2'-ethyl-9'- ...)
Show SMILES CCN1C[C@@]2(C[C@@H]2CO)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21ClFN3O5/c1-2-25-10-21(6-12(21)9-27)26-8-13(17(28)18(29)16(26)20(25)31)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-/m1/s1
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n/an/an/an/a 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...)
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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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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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...)
BDBM288176
PNG
((1S,2S)-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-/m1/s1
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n/an/an/an/a 5.10n/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...)
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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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...)
BDBM288179
PNG
((1S,2S)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2-...)
Show SMILES CC(C)N1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1CO)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-11(2)27-21(32)17-19(30)18(29)14(8-26(17)10-22(27)6-13(22)9-28)20(31)25-7-12-4-3-5-15(23)16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22-/m1/s1
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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...)
BDBM288181
PNG
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2-...)
Show SMILES CN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@H]1CO)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C20H19ClFN3O5/c1-24-19(30)15-17(28)16(27)12(7-25(15)9-20(24)5-11(20)8-26)18(29)23-6-10-3-2-4-13(21)14(10)22/h2-4,7,11,26,28H,5-6,8-9H2,1H3,(H,23,29)/t11-,20-/m0/s1
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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...)
BDBM288025
PNG
(US10087178, Example 7)
Show SMILES COC[C@H]1C[C@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(OC)c(Cl)c1F
Show InChI InChI=1S/C23H25ClFN3O6/c1-27-11-23(6-12(7-23)10-33-2)28-9-14(19(29)20(30)18(28)22(27)32)21(31)26-8-13-4-5-15(34-3)16(24)17(13)25/h4-5,9,12,30H,6-8,10-11H2,1-3H3,(H,26,31)/t12-,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...)
BDBM288049
PNG
(US10087178, Example S9 | trans-3-(benzyloxy)-N-(2,...)
Show SMILES CN1C[C@@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C27H25F2N3O5/c1-31-15-27(10-19(11-27)37-14-16-5-3-2-4-6-16)32-13-20(23(33)24(34)22(32)26(31)36)25(35)30-12-17-7-8-18(28)9-21(17)29/h2-9,13,19,34H,10-12,14-15H2,1H3,(H,30,35)/t19-,27-
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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...)
BDBM288054
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-cis-3-methoxy-2...)
Show SMILES CO[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/C21H21F2N3O5/c1-25-10-21(6-13(7-21)31-2)26-9-14(17(27)18(28)16(26)20(25)30)19(29)24-8-11-3-4-12(22)5-15(11)23/h3-5,9,13,28H,6-8,10H2,1-2H3,(H,24,29)/t13-,21+
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n/an/an/an/a 3.90n/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...)
BDBM288063
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-ci...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C24H27F2N3O5/c1-13(2)28-12-24(7-14(8-24)11-34-3)29-10-17(20(30)21(31)19(29)23(28)33)22(32)27-9-15-4-5-16(25)6-18(15)26/h4-6,10,13-14,31H,7-9,11-12H2,1-3H3,(H,27,32)/t14-,24+
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n/an/an/an/a 6.30n/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...)
BDBM288068
PNG
(N-(3-chloro-2-fluorobenzyl)- trans-3-ethoxy-9'-hyd...)
Show SMILES CCO[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/c1-3-32-13-7-22(8-13)11-26(2)21(31)17-19(29)18(28)14(10-27(17)22)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 3.60n/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...)
BDBM288073
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-cis-3-isopropox...)
Show SMILES CC(C)O[C@H]1C[C@@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C25H29F2N3O5/c1-13(2)29-12-25(8-17(9-25)35-14(3)4)30-11-18(21(31)22(32)20(30)24(29)34)23(33)28-10-15-5-6-16(26)7-19(15)27/h5-7,11,13-14,17,32H,8-10,12H2,1-4H3,(H,28,33)/t17-,25+
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n/an/an/an/a 6.40n/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...)
BDBM288077
PNG
(N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-cis-3- (hy...)
Show SMILES CN1C[C@]2(C[C@H](CO)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21ClFN3O5/c1-25-10-21(5-11(6-21)9-27)26-8-13(17(28)18(29)16(26)20(25)31)19(30)24-7-12-3-2-4-14(22)15(12)23/h2-4,8,11,27,29H,5-7,9-10H2,1H3,(H,24,30)/t11-,21+
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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...)
BDBM288082
PNG
(N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-2'-methyl-...)
Show SMILES CCCO[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/c1-3-7-33-14-8-23(9-14)12-27(2)22(32)18-20(30)19(29)15(11-28(18)23)21(31)26-10-13-5-4-6-16(24)17(13)25/h4-6,11,14,30H,3,7-10,12H2,1-2H3,(H,26,31)/t14-,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...)
BDBM288099
PNG
(N-(3-chloro-2-fluorobenzyl)- 2'-ethyl-9'-hydroxy-t...)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@H](COC)C1)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H25ClFN3O5/c1-3-28-22(32)18-20(30)19(29)15(10-27(18)12-23(28)7-13(8-23)11-33-2)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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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...)
BDBM288100
PNG
(N-(3-chloro-2-fluorobenzyl)- 2'-ethyl-9'-hydroxy-c...)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@H](CO)C1)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-2-27-21(32)17-19(30)18(29)14(9-26(17)11-22(27)6-12(7-22)10-28)20(31)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,28,30H,2,6-8,10-11H2,1H3,(H,25,31)/t12-,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
HIV-1 Nef


(Human immunodeficiency virus type 1 (isolate BRU/L...)
BDBM288104
PNG
(US10087178, Example 22)
Show SMILES CN1C[C@]2(C[C@@H](C2)C(O)=O)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H19ClFN3O6/c1-25-9-21(5-11(6-21)20(31)32)26-8-12(16(27)17(28)15(26)19(25)30)18(29)24-7-10-3-2-4-13(22)14(10)23/h2-4,8,11,28H,5-7,9H2,1H3,(H,24,29)(H,31,32)/t11-,21+
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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...)
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...)
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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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+
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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...)
BDBM288133
PNG
((1S,2S)-N-(2,4- difluorobenzyl)-2'-ethyl-9'- hydro...)
Show SMILES CCN1C[C@@]2(C[C@@H]2CO)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21F2N3O5/c1-2-25-10-21(6-12(21)9-27)26-8-14(17(28)18(29)16(26)20(25)31)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 18n/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...)
BDBM288140
PNG
((1S,2S)-N7'-(2,4- difluorobenzyl)-2'-ethyl-9'- hyd...)
Show SMILES CCN1C[C@@]2(C[C@@H]2C(=O)NC)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H22F2N4O5/c1-3-27-10-22(7-14(22)20(32)25-2)28-9-13(17(29)18(30)16(28)21(27)33)19(31)26-8-11-4-5-12(23)6-15(11)24/h4-6,9,14,30H,3,7-8,10H2,1-2H3,(H,25,32)(H,26,31)/t14-,22-/m1/s1
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n/an/an/an/a 6.10n/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...)
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...)
BDBM288159
PNG
((1S,2S)-2'-ethyl-N-(2-fluoro- 3-(trifluoromethyl)b...)
Show SMILES COC[C@H]1C[C@@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(c1F)C(F)(F)F
Show InChI InChI=1S/C22H21F4N3O5/c1-28-10-21(6-12(21)9-34-2)29-8-13(17(30)18(31)16(29)20(28)33)19(32)27-7-11-4-3-5-14(15(11)23)22(24,25)26/h3-5,8,12,31H,6-7,9-10H2,1-2H3,(H,27,32)/t12-,21-/m1/s1
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n/an/an/an/a 97n/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...)
BDBM288160
PNG
((1S,2R)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2-...)
Show SMILES CC(C)N1C[C@@]2(C[C@H]2CO)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23ClFN3O5/c1-11(2)26-10-22(6-13(22)9-28)27-8-14(18(29)19(30)17(27)21(26)32)20(31)25-7-12-4-3-5-15(23)16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22+/m0/s1
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n/an/an/an/a 5.20n/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...)
BDBM288169
PNG
((1S,2S)-N-(3-chloro-4-ethoxy- 2-fluorobenzyl)-9'-h...)
Show SMILES CCOc1ccc(CNC(=O)c2cn3c(C(=O)N(C)C[C@@]33C[C@@H]3COC)c(O)c2=O)c(F)c1Cl
Show InChI InChI=1S/C23H25ClFN3O6/c1-4-34-15-6-5-12(17(25)16(15)24)8-26-21(31)14-9-28-18(20(30)19(14)29)22(32)27(2)11-23(28)7-13(23)10-33-3/h5-6,9,13,30H,4,7-8,10-11H2,1-3H3,(H,26,31)/t13-,23-/m1/s1
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n/an/an/an/a 93n/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...)
BDBM288180
PNG
((1S,2S)-N-(3-chloro-2-fluoro- 4-methoxybenzyl)-2'-...)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1CO)C(=O)NCc1ccc(OC)c(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O6/c1-3-27-21(32)17-19(30)18(29)13(8-26(17)10-22(27)6-12(22)9-28)20(31)25-7-11-4-5-14(33-2)15(23)16(11)24/h4-5,8,12,28,30H,3,6-7,9-10H2,1-2H3,(H,25,31)/t12-,22-/m1/s1
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n/an/an/an/a 18n/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...)
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...)
BDBM288045
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-tr...)
Show SMILES CO[C@H]1C[C@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-15(8-23)33-3)28-10-16(19(29)20(30)18(28)22(27)32)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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n/an/an/an/a 4.40n/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...)
BDBM288046
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-ci...)
Show SMILES CO[C@H]1C[C@@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-15(8-23)33-3)28-10-16(19(29)20(30)18(28)22(27)32)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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n/an/an/an/a 3.70n/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...)
BDBM288048
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-tr...)
Show SMILES COCCO[C@H]1C[C@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C25H29F2N3O6/c1-14(2)29-13-25(9-17(10-25)36-7-6-35-3)30-12-18(21(31)22(32)20(30)24(29)34)23(33)28-11-15-4-5-16(26)8-19(15)27/h4-5,8,12,14,17,32H,6-7,9-11,13H2,1-3H3,(H,28,33)/t17-,25-
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n/an/an/an/a 5.30n/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...)
BDBM288052
PNG
(N-(2,4-difluorobenzyl)-cis- 3,9'-dihydroxy-2'-meth...)
Show SMILES CN1C[C@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C20H19F2N3O5/c1-24-9-20(5-12(26)6-20)25-8-13(16(27)17(28)15(25)19(24)30)18(29)23-7-10-2-3-11(21)4-14(10)22/h2-4,8,12,26,28H,5-7,9H2,1H3,(H,23,29)/t12-,20+
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n/an/an/an/a 23n/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...)
BDBM288053
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-trans-3-methoxy...)
Show SMILES CO[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/C21H21F2N3O5/c1-25-10-21(6-13(7-21)31-2)26-9-14(17(27)18(28)16(26)20(25)30)19(29)24-8-11-3-4-12(22)5-15(11)23/h3-5,9,13,28H,6-8,10H2,1-2H3,(H,24,29)/t13-,21-
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n/an/an/an/a 4.5n/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...)
BDBM288064
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-trans-3- (hydro...)
Show SMILES CC(C)N1C[C@@]2(C[C@H](CO)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(6-13(7-23)10-29)28-9-16(19(30)20(31)18(28)22(27)33)21(32)26-8-14-3-4-15(24)5-17(14)25/h3-5,9,12-13,29,31H,6-8,10-11H2,1-2H3,(H,26,32)/t13-,23-
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n/an/an/an/a 16n/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...)
BDBM288067
PNG
(N-(3-chloro-2-fluorobenzyl)- cis-3,9'-dihydroxy-2'...)
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 14n/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...)
BDBM288076
PNG
(N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-trans-3- (...)
Show SMILES CN1C[C@@]2(C[C@H](CO)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21ClFN3O5/c1-25-10-21(5-11(6-21)9-27)26-8-13(17(28)18(29)16(26)20(25)31)19(30)24-7-12-3-2-4-14(22)15(12)23/h2-4,8,11,27,29H,5-7,9-10H2,1H3,(H,24,30)/t11-,21-
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n/an/an/an/a 15n/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...)
BDBM288086
PNG
(N-(3-chloro-2-fluorobenzyl)- 2'-ethyl-9'-hydroxy-c...)
Show SMILES CCN1C[C@]2(C[C@H](CO)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23ClFN3O5/c1-2-26-11-22(6-12(7-22)10-28)27-9-14(18(29)19(30)17(27)21(26)32)20(31)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,28,30H,2,6-8,10-11H2,1H3,(H,25,31)/t12-,22+
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n/an/an/an/a 4.40n/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...)
BDBM288088
PNG
(N-(3-chloro-2-fluorobenzyl)- cis-3-(ethoxymethyl)-...)
Show SMILES CCOC[C@H]1C[C@@]2(C1)CN(CC)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C24H27ClFN3O5/c1-3-28-13-24(8-14(9-24)12-34-4-2)29-11-16(20(30)21(31)19(29)23(28)33)22(32)27-10-15-6-5-7-17(25)18(15)26/h5-7,11,14,31H,3-4,8-10,12-13H2,1-2H3,(H,27,32)/t14-,24+
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n/an/an/an/a 4.30n/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...)
BDBM288089
PNG
(N-(3-chloro-2-fluoro-4- methoxyphenyl)-9'-hydroxy-...)
Show SMILES COc1ccc(CNC(=O)c2cn3c(C(=O)N(C)C[C@@]33C[C@H](CO)C3)c(O)c2=O)c(F)c1Cl
Show InChI InChI=1S/C22H23ClFN3O6/c1-26-10-22(5-11(6-22)9-28)27-8-13(18(29)19(30)17(27)21(26)32)20(31)25-7-12-3-4-14(33-2)15(23)16(12)24/h3-4,8,11,28,30H,5-7,9-10H2,1-2H3,(H,25,31)/t11-,22-
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n/an/an/an/a 65n/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...)
BDBM288093
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-ci...)
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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n/an/an/an/a 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...)
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+
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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...)
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...)
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...)
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...)
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...)
BDBM288134
PNG
((1S,2S)-N-(2,4- difluroobenzyl)-2'-ethyl-9'- hydro...)
Show SMILES CCN1C[C@@]2(C[C@@H]2COC)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23F2N3O5/c1-3-26-11-22(7-13(22)10-32-2)27-9-15(18(28)19(29)17(27)21(26)31)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 4.20n/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...)
BDBM288155
PNG
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2-...)
Show SMILES CN1C[C@]2(C[C@H]2CO)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C20H19ClFN3O5/c1-24-9-20(5-11(20)8-26)25-7-12(16(27)17(28)15(25)19(24)30)18(29)23-6-10-3-2-4-13(21)14(10)22/h2-4,7,11,26,28H,5-6,8-9H2,1H3,(H,23,29)/t11-,20-/m0/s1
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n/an/an/an/a 9.60n/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...)
BDBM288158
PNG
((1S,2S)-N-(3-chloro-2-fluoro- 5-isopropoxybenzyl)-...)
Show SMILES COC[C@H]1C[C@@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cc(OC(C)C)cc(Cl)c1F
Show InChI InChI=1S/C24H27ClFN3O6/c1-12(2)35-15-5-13(18(26)17(25)6-15)8-27-22(32)16-9-29-19(21(31)20(16)30)23(33)28(3)11-24(29)7-14(24)10-34-4/h5-6,9,12,14,31H,7-8,10-11H2,1-4H3,(H,27,32)/t14-,24-/m1/s1
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n/an/an/an/a 15n/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...)
BDBM288161
PNG
((1S,2R)-N-(3-chloro-2- fluorobenzyl)-2'-ethyl-9'- ...)
Show SMILES CCN1C[C@@]2(C[C@H]2CO)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21ClFN3O5/c1-2-25-10-21(6-12(21)9-27)26-8-13(17(28)18(29)16(26)20(25)31)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 4.80n/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...)
BDBM288162
PNG
((1S,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 4.40n/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...)
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...)
BDBM288177
PNG
((1S,2S)-N-(3-chloro-2- fluorobenzyl)-2- (ethoxymet...)
Show SMILES CCOC[C@H]1C[C@@]11Cn2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C(=O)N1CC
Show InChI InChI=1S/C23H25ClFN3O5/c1-3-28-22(32)18-20(30)19(29)15(10-27(18)12-23(28)8-14(23)11-33-4-2)21(31)26-9-13-6-5-7-16(24)17(13)25/h5-7,10,14,30H,3-4,8-9,11-12H2,1-2H3,(H,26,31)/t14-,23-/m1/s1
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n/an/an/an/a 4.40n/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...)
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...)
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...)
BDBM288040
PNG
(US10087178, Example 21)
Show SMILES CC(C)N1C[C@]2(C[C@H]2CS(C)(=O)=O)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H25ClFN3O6S/c1-12(2)27-11-23(7-14(23)10-35(3,33)34)28-9-15(19(29)20(30)18(28)22(27)32)21(31)26-8-13-5-4-6-16(24)17(13)25/h4-6,9,12,14,30H,7-8,10-11H2,1-3H3,(H,26,31)/t14-,23-/m0/s1
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n/an/an/an/a 48n/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...)
BDBM288042
PNG
(US10087178, Example S2 | cis-3-(benzyloxy)-N-(2,4-...)
Show SMILES CC(C)N1C[C@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C29H29F2N3O5/c1-17(2)33-16-29(11-21(12-29)39-15-18-6-4-3-5-7-18)34-14-22(25(35)26(36)24(34)28(33)38)27(37)32-13-19-8-9-20(30)10-23(19)31/h3-10,14,17,21,36H,11-13,15-16H2,1-2H3,(H,32,37)/t21-,29+
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n/an/an/an/a 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...)
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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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...)
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...)
BDBM288071
PNG
(N7'-(2,4-difluorobenzyl)-9'- hydroxy-2'-isopropyl-...)
Show SMILES CC(C)N1C[C@]2(C[C@@H](C2)C(=O)N(C)C)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C25H28F2N4O5/c1-13(2)30-12-25(8-15(9-25)23(35)29(3)4)31-11-17(20(32)21(33)19(31)24(30)36)22(34)28-10-14-5-6-16(26)7-18(14)27/h5-7,11,13,15,33H,8-10,12H2,1-4H3,(H,28,34)/t15-,25+
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n/an/an/an/a 24n/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...)
BDBM288083
PNG
(N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-2'-methyl-...)
Show SMILES CCCO[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/c1-3-7-33-14-8-23(9-14)12-27(2)22(32)18-20(30)19(29)15(11-28(18)23)21(31)26-10-13-5-4-6-16(24)17(13)25/h4-6,11,14,30H,3,7-10,12H2,1-2H3,(H,26,31)/t14-,23+
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n/an/an/an/a 4.70n/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...)
BDBM288094
PNG
(N-(2,4-difluorobenzyl)- trans-3,9'-dihydroxy-2'- i...)
Show SMILES CC(C)N1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@H](O)C1)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)27-21(32)17-19(30)18(29)15(9-26(17)10-22(27)6-14(28)7-22)20(31)25-8-12-3-4-13(23)5-16(12)24/h3-5,9,11,14,28,30H,6-8,10H2,1-2H3,(H,25,31)/t14-,22-
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n/an/an/an/a 27n/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...)
BDBM288138
PNG
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2'...)
Show SMILES COC[C@@H]1C[C@]11CN(C(C)C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H25ClFN3O5/c1-12(2)27-11-23(7-14(23)10-33-3)28-9-15(19(29)20(30)18(28)22(27)32)21(31)26-8-13-5-4-6-16(24)17(13)25/h4-6,9,12,14,30H,7-8,10-11H2,1-3H3,(H,26,31)/t14-,23-/m0/s1
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n/an/an/an/a 3.80n/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...)
BDBM288144
PNG
((1S,2S)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2'...)
Show SMILES COC[C@H]1C[C@@]11CN(C(C)C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H25ClFN3O5/c1-12(2)27-11-23(7-14(23)10-33-3)28-9-15(19(29)20(30)18(28)22(27)32)21(31)26-8-13-5-4-6-16(24)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 5.70n/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...)
BDBM288157
PNG
((1S,2S)-N-(3-chloro-5-ethoxy- 2-fluorobenzyl)-9'-h...)
Show SMILES CCOc1cc(Cl)c(F)c(CNC(=O)c2cn3c(C(=O)N(C)C[C@@]33C[C@@H]3COC)c(O)c2=O)c1
Show InChI InChI=1S/C23H25ClFN3O6/c1-4-34-14-5-12(17(25)16(24)6-14)8-26-21(31)15-9-28-18(20(30)19(15)29)22(32)27(2)11-23(28)7-13(23)10-33-3/h5-6,9,13,30H,4,7-8,10-11H2,1-3H3,(H,26,31)/t13-,23-/m1/s1
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n/an/an/an/a 7n/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...)
BDBM288167
PNG
((1R,2R)-N-(3-chloro-2-fluoro- 4-methoxybenzyl)-2- ...)
Show SMILES CCOC[C@@H]1C[C@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(OC)c(Cl)c1F
Show InChI InChI=1S/C23H25ClFN3O6/c1-4-34-10-13-7-23(13)11-27(2)22(32)18-20(30)19(29)14(9-28(18)23)21(31)26-8-12-5-6-15(33-3)16(24)17(12)25/h5-6,9,13,30H,4,7-8,10-11H2,1-3H3,(H,26,31)/t13-,23-/m0/s1
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n/an/an/an/a 17n/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...)
BDBM288170
PNG
((1R,2R)-N-(3-chloro-4-ethoxy- 2-fluorobenzyl)-9'-h...)
Show SMILES CCOc1ccc(CNC(=O)c2cn3c(C(=O)N(C)C[C@]33C[C@H]3COC)c(O)c2=O)c(F)c1Cl
Show InChI InChI=1S/C23H25ClFN3O6/c1-4-34-15-6-5-12(17(25)16(15)24)8-26-21(31)14-9-28-18(20(30)19(14)29)22(32)27(2)11-23(28)7-13(23)10-33-3/h5-6,9,13,30H,4,7-8,10-11H2,1-3H3,(H,26,31)/t13-,23-/m0/s1
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n/an/an/an/a 77n/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...)
BDBM288043
PNG
(N-(2,4-difluorobenzyl)- trans-3,9'-dihydroxy-2'- i...)
Show SMILES CC(C)N1C[C@@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-14(28)7-22)27-9-15(18(29)19(30)17(27)21(26)32)20(31)25-8-12-3-4-13(23)5-16(12)24/h3-5,9,11,14,28,30H,6-8,10H2,1-2H3,(H,25,31)/t14-,22-
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n/an/an/an/a 11n/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...)
BDBM288044
PNG
(N-(2,4-difluorobenzyl)-cis- 3,9'-dihydroxy-2'-isop...)
Show SMILES CC(C)N1C[C@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-14(28)7-22)27-9-15(18(29)19(30)17(27)21(26)32)20(31)25-8-12-3-4-13(23)5-16(12)24/h3-5,9,11,14,28,30H,6-8,10H2,1-2H3,(H,25,31)/t14-,22+
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n/an/an/an/a 4.90n/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...)
BDBM288057
PNG
(N-(2,4-difluorobenzyl)-2'- ethyl-trans-3,9'-dihydr...)
Show SMILES CCN1C[C@@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21F2N3O5/c1-2-25-10-21(6-13(27)7-21)26-9-14(17(28)18(29)16(26)20(25)31)19(30)24-8-11-3-4-12(22)5-15(11)23/h3-5,9,13,27,29H,2,6-8,10H2,1H3,(H,24,30)/t13-,21-
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n/an/an/an/a 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...)
BDBM288059
PNG
(N-(2,4-difluorobenzyl)-2'- ethyl-9'-hydroxy-trans-...)
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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n/an/an/an/a 4.80n/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...)
BDBM288061
PNG
(N-(2,4-difluorobenzyl)-cis- 3-ethoxy-2'-ethyl-9'- ...)
Show SMILES CCO[C@H]1C[C@@]2(C1)CN(CC)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C23H25F2N3O5/c1-3-27-12-23(8-15(9-23)33-4-2)28-11-16(19(29)20(30)18(28)22(27)32)21(31)26-10-13-5-6-14(24)7-17(13)25/h5-7,11,15,30H,3-4,8-10,12H2,1-2H3,(H,26,31)/t15-,23+
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n/an/an/an/a 3.80n/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...)
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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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...)
BDBM288097
PNG
(N-(3-chloro-2-fluorobenzyl)- cis-3-ethoxy-2'-ethyl...)
Show SMILES CCO[C@H]1C[C@@]2(C1)Cn1cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c1C(=O)N2CC
Show InChI InChI=1S/C23H25ClFN3O5/c1-3-28-22(32)18-20(30)19(29)15(11-27(18)12-23(28)8-14(9-23)33-4-2)21(31)26-10-13-6-5-7-16(24)17(13)25/h5-7,11,14,30H,3-4,8-10,12H2,1-2H3,(H,26,31)/t14-,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...)
BDBM288098
PNG
(N-(3-chloro-2-fluorobenzyl)- 2'-ethyl-9'-hydroxy-t...)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@H](CO)C1)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5/c1-2-27-21(32)17-19(30)18(29)14(9-26(17)11-22(27)6-12(7-22)10-28)20(31)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,28,30H,2,6-8,10-11H2,1H3,(H,25,31)/t12-,22-
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n/an/an/an/a 6.80n/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...)
BDBM288101
PNG
(N-(3-chloro-2-fluorobenzyl)- 2'-ethyl-9'-hydroxy-c...)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]11C[C@H](COC)C1)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C23H25ClFN3O5/c1-3-28-22(32)18-20(30)19(29)15(10-27(18)12-23(28)7-13(8-23)11-33-2)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 5.10n/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...)
BDBM288102
PNG
(N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-trans-3-me...)
Show SMILES CO[C@H]1C[C@]2(C1)Cn1cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c1C(=O)N2C
Show InChI InChI=1S/C21H21ClFN3O5/c1-25-20(30)16-18(28)17(27)13(9-26(16)10-21(25)6-12(7-21)31-2)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 4.60n/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...)
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...)
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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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...)
BDBM288139
PNG
((1S,2S)-7'-(2,4- difluorobenzylcarbamoyl)-2'- ethy...)
Show SMILES CCN1C[C@@]2(C[C@@H]2C(O)=O)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H19F2N3O6/c1-2-25-9-21(6-13(21)20(31)32)26-8-12(16(27)17(28)15(26)19(25)30)18(29)24-7-10-3-4-11(22)5-14(10)23/h3-5,8,13,28H,2,6-7,9H2,1H3,(H,24,29)(H,31,32)/t13-,21-/m1/s1
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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...)
BDBM288142
PNG
((1R,2R)-N-(2,4- difluorobenzyl)-2'-ethyl-9'- hydro...)
Show SMILES CCN1C[C@]2(C[C@H]2CO)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21F2N3O5/c1-2-25-10-21(6-12(21)9-27)26-8-14(17(28)18(29)16(26)20(25)31)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-/m0/s1
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n/an/an/an/a 16n/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...)
BDBM288151
PNG
((1S,2S)-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-/m1/s1
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n/an/an/an/a 3.80n/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...)
BDBM288153
PNG
((1S,2S)-N-(3-chloro-2-fluoro- 5-methoxybenzyl)-9'-...)
Show SMILES COC[C@H]1C[C@@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cc(OC)cc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O6/c1-26-10-22(6-12(22)9-32-2)27-8-14(18(28)19(29)17(27)21(26)31)20(30)25-7-11-4-13(33-3)5-15(23)16(11)24/h4-5,8,12,29H,6-7,9-10H2,1-3H3,(H,25,30)/t12-,22-/m1/s1
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n/an/an/an/a 6.10n/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...)
BDBM288166
PNG
((1S,2S)-N-(3-chloro-2-fluoro- 5-(2-oxopyrrolidin-1...)
Show SMILES COC[C@H]1C[C@@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1cc(cc(Cl)c1F)N1CCCC1=O
Show InChI InChI=1S/C25H26ClFN4O6/c1-29-12-25(8-14(25)11-37-2)31-10-16(21(33)22(34)20(31)24(29)36)23(35)28-9-13-6-15(7-17(26)19(13)27)30-5-3-4-18(30)32/h6-7,10,14,34H,3-5,8-9,11-12H2,1-2H3,(H,28,35)/t14-,25-/m1/s1
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n/an/an/an/a 23n/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...)
BDBM288168
PNG
((1R,2R)-N-(3-chloro-2-fluoro- 4-methoxybenzyl)-9'-...)
Show SMILES COC[C@@H]1C[C@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(OC)c(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O6/c1-26-10-22(6-12(22)9-32-2)27-8-13(18(28)19(29)17(27)21(26)31)20(30)25-7-11-4-5-14(33-3)15(23)16(11)24/h4-5,8,12,29H,6-7,9-10H2,1-3H3,(H,25,30)/t12-,22-/m0/s1
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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...)
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...)
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...)
BDBM288182
PNG
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2-...)
Show SMILES COC[C@@H]1C[C@]11Cn2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C(=O)N1C
Show InChI InChI=1S/C21H21ClFN3O5/c1-25-20(30)16-18(28)17(27)13(8-26(16)10-21(25)6-12(21)9-31-2)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 3.70n/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...)
BDBM288027
PNG
(US10087178, Example 8)
Show SMILES COCC1C[C@@]2(C1)CN(C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(OC)c(Cl)c1F
Show InChI InChI=1S/C23H25ClFN3O6/c1-27-11-23(6-12(7-23)10-33-2)28-9-14(19(29)20(30)18(28)22(27)32)21(31)26-8-13-4-5-15(34-3)16(24)17(13)25/h4-5,9,12,30H,6-8,10-11H2,1-3H3,(H,26,31)/t12?,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...)
BDBM288062
PNG
(N-(2,4-difluorobenzyl)-9'- hydroxy-cis-3- (hydroxy...)
Show SMILES CC(C)N1C[C@]2(C[C@H](CO)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(6-13(7-23)10-29)28-9-16(19(30)20(31)18(28)22(27)33)21(32)26-8-14-3-4-15(24)5-17(14)25/h3-5,9,12-13,29,31H,6-8,10-11H2,1-2H3,(H,26,32)/t13-,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...)
BDBM288069
PNG
(N-(3-chloro-2-fluorobenzyl)- cis-3-ethoxy-9'-hydro...)
Show SMILES CCO[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/c1-3-32-13-7-22(8-13)11-26(2)21(31)17-19(29)18(28)14(10-27(17)22)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 4.30n/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...)
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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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...)
BDBM288103
PNG
(N-(3-chloro-2-fluorobenzyl)- 9'-hydroxy-cis-3-meth...)
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 4n/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...)
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...)
BDBM288117
PNG
(Production of Monosodium 7′-(3-chloro-2-fluo...)
Show SMILES CCN1C(=O)c2c(O[Na])c(=O)c(cn2C[C@@]11C[C@@H](C1)OC)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O5.Na/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 3.70n/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...)
BDBM288120
PNG
(Production of 7′-(3-chloro-2-fluorobenzylcar...)
Show SMILES COC[C@H]1C[C@@]2(C1)CN(C)C(=O)c1c(OC(=O)N(C)C)c(=O)c(cn21)C(=O)NCc1cccc(Cl)c1F
Show InChI InChI=1S/C25H28ClFN4O6/c1-29(2)24(35)37-21-19-23(34)30(3)13-25(8-14(9-25)12-36-4)31(19)11-16(20(21)32)22(33)28-10-15-6-5-7-17(26)18(15)27/h5-7,11,14H,8-10,12-13H2,1-4H3,(H,28,33)/t14-,25+
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n/an/an/an/a 110n/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...)
BDBM288143
PNG
((1S,2S)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2-...)
Show SMILES CC(C)N1C[C@@]2(C[C@@H]2CO)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23ClFN3O5/c1-11(2)26-10-22(6-13(22)9-28)27-8-14(18(29)19(30)17(27)21(26)32)20(31)25-7-12-4-3-5-15(23)16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22-/m1/s1
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n/an/an/an/a 6n/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...)
BDBM288154
PNG
((1S,2S)-N-(3-chloro-2-fluoro- 4-methoxybenzyl)-9'-...)
Show SMILES COC[C@H]1C[C@@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(OC)c(Cl)c1F
Show InChI InChI=1S/C22H23ClFN3O6/c1-26-10-22(6-12(22)9-32-2)27-8-13(18(28)19(29)17(27)21(26)31)20(30)25-7-11-4-5-14(33-3)15(23)16(11)24/h4-5,8,12,29H,6-7,9-10H2,1-3H3,(H,25,30)/t12-,22-/m1/s1
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n/an/an/an/a 4.90n/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...)
BDBM288029
PNG
(US10087178, Example 10)
Show SMILES COC[C@H]1C[C@@]11CN(C(C)C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-14(23)10-33-3)28-9-16(19(29)20(30)18(28)22(27)32)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 3.60n/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...)
BDBM288030
PNG
(US10087178, Example 11 | US10087178, Example 15)
Show SMILES CC(C)N1C[C@@]2(C[C@H]2CO)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)26-10-22(6-13(22)9-28)27-8-15(18(29)19(30)17(27)21(26)32)20(31)25-7-12-3-4-14(23)5-16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22+/m0/s1
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n/an/an/an/a 5.80n/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...)
BDBM288031
PNG
(US10087178, Example 12 | US10087178, Example 16)
Show SMILES COC[C@@H]1C[C@@]11CN(C(C)C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C23H25F2N3O5/c1-12(2)27-11-23(7-14(23)10-33-3)28-9-16(19(29)20(30)18(28)22(27)32)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+/m0/s1
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n/an/an/an/a 6.10n/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...)
BDBM288038
PNG
(US10087178, Example 19)
Show SMILES CC(C)N1C[C@@]2(C[C@@H]2C(=O)N(C)C)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C24H26F2N4O5/c1-12(2)29-11-24(8-16(24)22(34)28(3)4)30-10-15(19(31)20(32)18(30)23(29)35)21(33)27-9-13-5-6-14(25)7-17(13)26/h5-7,10,12,16,32H,8-9,11H2,1-4H3,(H,27,33)/t16-,24-/m1/s1
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n/an/an/an/a 4.20n/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...)
BDBM288047
PNG
(N-(2,4-difluorobenzyl)- trans-3-ethoxy-9'-hydroxy-...)
Show SMILES CCO[C@H]1C[C@]2(C1)CN(C(C)C)C(=O)c1c(O)c(=O)c(cn21)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C24H27F2N3O5/c1-4-34-16-8-24(9-16)12-28(13(2)3)23(33)19-21(31)20(30)17(11-29(19)24)22(32)27-10-14-5-6-15(25)7-18(14)26/h5-7,11,13,16,31H,4,8-10,12H2,1-3H3,(H,27,32)/t16-,24-
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n/an/an/an/a 3.70n/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...)
BDBM288050
PNG
(US10087178, Example S10 | cis-3-(benzyloxy)-N-(2,4...)
Show SMILES CN1C[C@]2(C[C@@H](C2)OCc2ccccc2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C27H25F2N3O5/c1-31-15-27(10-19(11-27)37-14-16-5-3-2-4-6-16)32-13-20(23(33)24(34)22(32)26(31)36)25(35)30-12-17-7-8-18(28)9-21(17)29/h2-9,13,19,34H,10-12,14-15H2,1H3,(H,30,35)/t19-,27+
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n/an/an/an/a 6.10n/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...)
BDBM288051
PNG
(N-(2,4-difluorobenzyl)- trans-3,9'-dihydroxy-2'- m...)
Show SMILES CN1C[C@@]2(C[C@H](O)C2)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C20H19F2N3O5/c1-24-9-20(5-12(26)6-20)25-8-13(16(27)17(28)15(25)19(24)30)18(29)23-7-10-2-3-11(21)4-14(10)22/h2-4,8,12,26,28H,5-7,9H2,1H3,(H,23,29)/t12-,20-
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n/an/an/an/a 25n/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...)
BDBM288075
PNG
(7'-(2,4- difluorobenzylcarbamoyl)-9'- hydroxy-2'-i...)
Show SMILES CC(C)N1C[C@]2(C[C@@H](C2)OS(C)(=O)=O)n2cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H25F2N3O7S/c1-12(2)27-11-23(7-15(8-23)35-36(3,33)34)28-10-16(19(29)20(30)18(28)22(27)32)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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n/an/an/an/a 7.30n/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...)
BDBM288084
PNG
(N-(3-chloro-2-fluorobenzyl)- 2'-ethyl-9'-hydroxy-t...)
Show SMILES CCN1C[C@@]2(C[C@H](CO)C2)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23ClFN3O5/c1-2-26-11-22(6-12(7-22)10-28)27-9-14(18(29)19(30)17(27)21(26)32)20(31)25-8-13-4-3-5-15(23)16(13)24/h3-5,9,12,28,30H,2,6-8,10-11H2,1H3,(H,25,31)/t12-,22-
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n/an/an/an/a 11n/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...)
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...)
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+
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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...)
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...)
BDBM288135
PNG
((1S,2S)-N-(2,4- difluorobenzyl)-9'-hydroxy-2- (met...)
Show SMILES COC[C@H]1C[C@@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C21H21F2N3O5/c1-25-10-21(6-12(21)9-31-2)26-8-14(17(27)18(28)16(26)20(25)30)19(29)24-7-11-3-4-13(22)5-15(11)23/h3-5,8,12,28H,6-7,9-10H2,1-2H3,(H,24,29)/t12-,21-/m1/s1
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n/an/an/an/a 4.5n/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...)
BDBM288146
PNG
((1R,2R)-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-/m0/s1
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n/an/an/an/a 4.80n/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...)
BDBM288147
PNG
((1S,2S)-N-(3-chloro-2- fluorobenzyl)-9'-hydroxy-2-...)
Show SMILES CN1C[C@@]2(C[C@@H]2CO)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C20H19ClFN3O5/c1-24-9-20(5-11(20)8-26)25-7-12(16(27)17(28)15(25)19(24)30)18(29)23-6-10-3-2-4-13(21)14(10)22/h2-4,7,11,26,28H,5-6,8-9H2,1H3,(H,23,29)/t11-,20-/m1/s1
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n/an/an/an/a 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...)
BDBM288149
PNG
((1R,2R)-N-(3-chloro-2- fluorobenzyl)-2'-ethyl-9'- ...)
Show SMILES CCN1C[C@]2(C[C@H]2CO)n2cc(C(=O)NCc3cccc(Cl)c3F)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21ClFN3O5/c1-2-25-10-21(6-12(21)9-27)26-8-13(17(28)18(29)16(26)20(25)31)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 5.70n/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...)
BDBM288163
PNG
((1S,2S)-N-(3-chloro-2-fluoro- 4-methoxybenzyl)-2- ...)
Show SMILES CCOC[C@H]1C[C@@]11CN(C)C(=O)c2c(O)c(=O)c(cn12)C(=O)NCc1ccc(OC)c(Cl)c1F
Show InChI InChI=1S/C23H25ClFN3O6/c1-4-34-10-13-7-23(13)11-27(2)22(32)18-20(30)19(29)14(9-28(18)23)21(31)26-8-12-5-6-15(33-3)16(24)17(12)25/h5-6,9,13,30H,4,7-8,10-11H2,1-3H3,(H,26,31)/t13-,23-/m1/s1
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n/an/an/an/a 12n/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...)
BDBM288174
PNG
((1S,2S)-N-(2,4- difluorobenzyl)-9'-hydroxy-2- (hyd...)
Show SMILES CC(C)N1C(=O)c2c(O)c(=O)c(cn2C[C@@]11C[C@@H]1CO)C(=O)NCc1ccc(F)cc1F
Show InChI InChI=1S/C22H23F2N3O5/c1-11(2)27-21(32)17-19(30)18(29)15(8-26(17)10-22(27)6-13(22)9-28)20(31)25-7-12-3-4-14(23)5-16(12)24/h3-5,8,11,13,28,30H,6-7,9-10H2,1-2H3,(H,25,31)/t13-,22-/m1/s1
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n/an/an/an/a 3.70n/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
* indicates data uncertainty>20%