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Patent code US10065950

Compile Data Set for Download or QSAR

Found 358 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
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272201
PNG
(US10065950, Example 42)
Show SMILES COCC1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C22H22F2N4O4S/c1-11(2)28-14(10-32-3)8-27-9-15(19(29)20(30)18(27)22(28)31)21-26-25-17(33-21)6-12-4-5-13(23)7-16(12)24/h4-5,7,9,11,14,30H,6,8,10H2,1-3H3
PDB

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n/an/a 3.40n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272314
PNG
(US10065950, Example 156)
Show SMILES CC(C)N1[C@H](C)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H20F2N4O3S/c1-10(2)27-11(3)8-26-9-14(18(28)19(29)17(26)21(27)30)20-25-24-16(31-20)6-12-4-5-13(22)7-15(12)23/h4-5,7,9-11,29H,6,8H2,1-3H3/t11-/m1/s1
PDB

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n/an/a 4.60n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272202
PNG
(US10065950, Example 43)
Show SMILES COCC1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1CC(C)C
Show InChI InChI=1S/C23H24F2N4O4S/c1-12(2)8-29-15(11-33-3)9-28-10-16(20(30)21(31)19(28)23(29)32)22-27-26-18(34-22)6-13-4-5-14(24)7-17(13)25/h4-5,7,10,12,15,31H,6,8-9,11H2,1-3H3
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272497
PNG
(US10065950, Example 359)
Show SMILES CC(C)N1C[C@H](Cn2cnnn2)n2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H21FN8O3S/c1-12(2)30-9-15(8-29-11-24-27-28-29)31-10-16(19(32)20(33)18(31)22(30)34)21-26-25-17(35-21)7-13-3-5-14(23)6-4-13/h3-6,10-12,15,33H,7-9H2,1-2H3/t15-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272241
PNG
(US10065950, Example 82)
Show SMILES CC(C)N1C(CC#N)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H19F2N5O3S/c1-11(2)29-14(5-6-25)9-28-10-15(19(30)20(31)18(28)22(29)32)21-27-26-17(33-21)7-12-3-4-13(23)8-16(12)24/h3-4,8,10-11,14,31H,5,7,9H2,1-2H3
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272208
PNG
(US10065950, Example 49)
Show SMILES CC(C)N1CC(CC#N)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H20F2N4O3S/c1-12(2)28-10-15(5-6-26)29-11-17(20(30)21(31)19(29)23(28)32)22-27-9-16(33-22)7-13-3-4-14(24)8-18(13)25/h3-4,8-9,11-12,15,31H,5,7,10H2,1-2H3
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272373
PNG
(US10065950, Example 217)
Show SMILES COC[C@@H]1Cn2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1CC1CC1
Show InChI InChI=1S/C24H24FN3O4S/c1-32-13-17-11-27-12-19(21(29)22(30)20(27)24(31)28(17)10-15-2-3-15)23-26-9-18(33-23)8-14-4-6-16(25)7-5-14/h4-7,9,12,15,17,30H,2-3,8,10-11,13H2,1H3/t17-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272309
PNG
(US10065950, Example 151)
Show SMILES CC(C)N1CC(CC(C)=O)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C24H23F2N3O4S/c1-12(2)28-10-16(6-13(3)30)29-11-18(21(31)22(32)20(29)24(28)33)23-27-9-17(34-23)7-14-4-5-15(25)8-19(14)26/h4-5,8-9,11-12,16,32H,6-7,10H2,1-3H3
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272316
PNG
(US10065950, Example 158)
Show SMILES CC(C)N1[C@H](CNS(C)(=O)=O)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H23F2N5O5S2/c1-11(2)29-14(8-25-36(3,33)34)9-28-10-15(19(30)20(31)18(28)22(29)32)21-27-26-17(35-21)6-12-4-5-13(23)7-16(12)24/h4-5,7,10-11,14,25,31H,6,8-9H2,1-3H3/t14-/m1/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272165
PNG
(US10065950, Example 6)
Show SMILES CC(C)N1[C@H](C)Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21FN4O3S/c1-11(2)26-12(3)9-25-10-15(18(27)19(28)17(25)21(26)29)20-24-23-16(30-20)8-13-4-6-14(22)7-5-13/h4-7,10-12,28H,8-9H2,1-3H3/t12-/m1/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272303
PNG
(US10065950, Example 145 | US10065950, Example 146)
Show SMILES CCC(C)N1[C@H](COC)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H24F2N4O4S/c1-4-12(2)29-15(11-33-3)9-28-10-16(20(30)21(31)19(28)23(29)32)22-27-26-18(34-22)7-13-5-6-14(24)8-17(13)25/h5-6,8,10,12,15,31H,4,7,9,11H2,1-3H3/t12?,15-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272210
PNG
(US10065950, Example 51)
Show SMILES CNC(=O)C1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C22H21F2N5O4S/c1-10(2)29-15(20(32)25-3)9-28-8-13(18(30)19(31)17(28)22(29)33)21-27-26-16(34-21)6-11-4-5-12(23)7-14(11)24/h4-5,7-8,10,15,31H,6,9H2,1-3H3,(H,25,32)
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272356
PNG
(US10065950, Example 198 | US10065950, Example 206)
Show SMILES COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1C(C)C1CC1
Show InChI InChI=1S/C24H25FN4O4S/c1-13(15-5-6-15)29-17(12-33-2)10-28-11-18(21(30)22(31)20(28)24(29)32)23-27-26-19(34-23)9-14-3-7-16(25)8-4-14/h3-4,7-8,11,13,15,17,31H,5-6,9-10,12H2,1-2H3/t13?,17-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272233
PNG
(US10065950, Example 74)
Show SMILES CC(C)N1C(CC(O)=O)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H20F2N4O5S/c1-10(2)28-13(7-17(29)30)8-27-9-14(19(31)20(32)18(27)22(28)33)21-26-25-16(34-21)5-11-3-4-12(23)6-15(11)24/h3-4,6,9-10,13,32H,5,7-8H2,1-2H3,(H,29,30)
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272475
PNG
(US10065950, Example 319)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2CC1(COC)COC)-c1nnc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C23H24F2N4O5S/c1-4-29-22(32)18-20(31)19(30)15(9-28(18)10-23(29,11-33-2)12-34-3)21-27-26-17(35-21)7-13-5-6-14(24)8-16(13)25/h5-6,8-9,31H,4,7,10-12H2,1-3H3
PDB

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n/an/a 5.80n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272326
PNG
(US10065950, Example 168)
Show SMILES COC[C@@H]1Cn2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C23H23F2N3O4S/c1-12(2)28-15(11-32-3)9-27-10-17(20(29)21(30)19(27)23(28)31)22-26-8-16(33-22)6-13-4-5-14(24)7-18(13)25/h4-5,7-8,10,12,15,30H,6,9,11H2,1-3H3/t15-/m0/s1
PDB

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n/an/a 5.80n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272459
PNG
(US10065950, Example 303)
Show SMILES CC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1CC1CC1
Show InChI InChI=1S/C23H23FN4O3S/c1-2-16-11-27-12-17(20(29)21(30)19(27)23(31)28(16)10-14-3-4-14)22-26-25-18(32-22)9-13-5-7-15(24)8-6-13/h5-8,12,14,16,30H,2-4,9-11H2,1H3/t16-/m1/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272311
PNG
(US10065950, Example 153)
Show SMILES CCNC(=O)C1(C)CN(C)C(=O)c2c(O)c(=O)c(cn12)-c1ncc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C23H22F2N4O4S/c1-4-26-22(33)23(2)11-28(3)21(32)17-19(31)18(30)15(10-29(17)23)20-27-9-14(34-20)7-12-5-6-13(24)8-16(12)25/h5-6,8-10,31H,4,7,11H2,1-3H3,(H,26,33)
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272298
PNG
(US10065950, Example 140)
Show SMILES CC(C)N1[C@@H](CNC(C)=O)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H23F2N5O4S/c1-11(2)30-15(8-26-12(3)31)9-29-10-16(20(32)21(33)19(29)23(30)34)22-28-27-18(35-22)6-13-4-5-14(24)7-17(13)25/h4-5,7,10-11,15,33H,6,8-9H2,1-3H3,(H,26,31)/t15-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272303
PNG
(US10065950, Example 145 | US10065950, Example 146)
Show SMILES CCC(C)N1[C@H](COC)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H24F2N4O4S/c1-4-12(2)29-15(11-33-3)9-28-10-16(20(30)21(31)19(28)23(29)32)22-27-26-18(34-22)7-13-5-6-14(24)8-17(13)25/h5-6,8,10,12,15,31H,4,7,9,11H2,1-3H3/t12?,15-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272353
PNG
(US10065950, Example 195)
Show SMILES COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1C1CCC1
Show InChI InChI=1S/C23H23FN4O4S/c1-32-12-16-10-27-11-17(20(29)21(30)19(27)23(31)28(16)15-3-2-4-15)22-26-25-18(33-22)9-13-5-7-14(24)8-6-13/h5-8,11,15-16,30H,2-4,9-10,12H2,1H3/t16-/m0/s1
PDB

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n/an/a 5.90n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272187
PNG
(US10065950, Example 152 | US10065950, Example 28)
Show SMILES CC(C)N1CC(C)(C(=O)N(C)C)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C25H26F2N4O4S/c1-13(2)30-12-25(3,24(35)29(4)5)31-11-17(20(32)21(33)19(31)23(30)34)22-28-10-16(36-22)8-14-6-7-15(26)9-18(14)27/h6-7,9-11,13,33H,8,12H2,1-5H3
PDB

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UniChem
n/an/a 5.90n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272307
PNG
(US10065950, Example 149)
Show SMILES CC(C)N1C[C@H](C)n2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H20F2N4O3S/c1-10(2)26-8-11(3)27-9-14(18(28)19(29)17(27)21(26)30)20-25-24-16(31-20)6-12-4-5-13(22)7-15(12)23/h4-5,7,9-11,29H,6,8H2,1-3H3/t11-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272479
PNG
(US10065950, Example 327)
Show SMILES CC[C@@H]1Cn2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1CC
Show InChI InChI=1S/C22H22FN3O3S/c1-3-15-11-25-12-17(19(27)20(28)18(25)22(29)26(15)4-2)21-24-10-16(30-21)9-13-5-7-14(23)8-6-13/h5-8,10,12,15,28H,3-4,9,11H2,1-2H3/t15-/m1/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272356
PNG
(US10065950, Example 198 | US10065950, Example 206)
Show SMILES COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1C(C)C1CC1
Show InChI InChI=1S/C24H25FN4O4S/c1-13(15-5-6-15)29-17(12-33-2)10-28-11-18(21(30)22(31)20(28)24(29)32)23-27-26-19(34-23)9-14-3-7-16(25)8-4-14/h3-4,7-8,11,13,15,17,31H,5-6,9-10,12H2,1-2H3/t13?,17-/m0/s1
PDB

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n/an/a 5.90n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272342
PNG
(US10065950, Example 184)
Show SMILES CC(C)N1[C@H](CN(C)C(=O)C(C)(C)C)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C27H31F2N5O4S/c1-14(2)34-17(11-32(6)26(38)27(3,4)5)12-33-13-18(22(35)23(36)21(33)25(34)37)24-31-30-20(39-24)9-15-7-8-16(28)10-19(15)29/h7-8,10,13-14,17,36H,9,11-12H2,1-6H3/t17-/m1/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272223
PNG
(US10065950, Example 64)
Show SMILES CC(C)N1C(Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O)C#N
Show InChI InChI=1S/C21H17F2N5O3S/c1-10(2)28-13(7-24)8-27-9-14(18(29)19(30)17(27)21(28)31)20-26-25-16(32-20)5-11-3-4-12(22)6-15(11)23/h3-4,6,9-10,13,30H,5,8H2,1-2H3
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272257
PNG
(US10065950, Example 99)
Show SMILES COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C22H22F2N4O4S/c1-11(2)28-14(10-32-3)8-27-9-15(19(29)20(30)18(27)22(28)31)21-26-25-17(33-21)6-12-4-5-13(23)7-16(12)24/h4-5,7,9,11,14,30H,6,8,10H2,1-3H3/t14-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272308
PNG
(US10065950, Example 150)
Show SMILES COC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)c(F)c4)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C22H22F2N4O4S/c1-11(2)28-13(10-32-3)8-27-9-14(19(29)20(30)18(27)22(28)31)21-26-25-17(33-21)7-12-4-5-15(23)16(24)6-12/h4-6,9,11,13,30H,7-8,10H2,1-3H3/t13-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272318
PNG
(US10065950, Example 160)
Show SMILES CNC(=O)C1CN(C)C(=O)c2c(O)c(=O)c(cn12)-c1ncc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C21H18F2N4O4S/c1-24-19(30)15-9-26(2)21(31)16-18(29)17(28)13(8-27(15)16)20-25-7-12(32-20)5-10-3-4-11(22)6-14(10)23/h3-4,6-8,15,29H,5,9H2,1-2H3,(H,24,30)
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272481
PNG
(US10065950, Example 329)
Show SMILES CCN1[C@@H](Cn2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O)C(C)C
Show InChI InChI=1S/C23H24FN3O3S/c1-4-27-18(13(2)3)12-26-11-17(20(28)21(29)19(26)23(27)30)22-25-10-16(31-22)9-14-5-7-15(24)8-6-14/h5-8,10-11,13,18,29H,4,9,12H2,1-3H3/t18-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272192
PNG
(US10065950, Example 33)
Show SMILES CC(C)N1CC(CC(O)=O)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H21F2N3O5S/c1-11(2)27-9-14(7-18(29)30)28-10-16(20(31)21(32)19(28)23(27)33)22-26-8-15(34-22)5-12-3-4-13(24)6-17(12)25/h3-4,6,8,10-11,14,32H,5,7,9H2,1-2H3,(H,29,30)
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272435
PNG
(US10065950, Example 279)
Show SMILES C[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1CC1CC1
Show InChI InChI=1S/C22H21FN4O3S/c1-12-9-26-11-16(19(28)20(29)18(26)22(30)27(12)10-14-2-3-14)21-25-24-17(31-21)8-13-4-6-15(23)7-5-13/h4-7,11-12,14,29H,2-3,8-10H2,1H3/t12-/m1/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272196
PNG
(US10065950, Example 37)
Show SMILES CC(C)N1C(CO)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H20F2N4O4S/c1-10(2)27-13(9-28)7-26-8-14(18(29)19(30)17(26)21(27)31)20-25-24-16(32-20)5-11-3-4-12(22)6-15(11)23/h3-4,6,8,10,13,28,30H,5,7,9H2,1-2H3
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272300
PNG
(US10065950, Example 142)
Show SMILES CCOC[C@H]1CN(C(C)C)C(=O)c2c(O)c(=O)c(cn12)-c1nnc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C23H24F2N4O4S/c1-4-33-11-15-9-28(12(2)3)23(32)19-21(31)20(30)16(10-29(15)19)22-27-26-18(34-22)7-13-5-6-14(24)8-17(13)25/h5-6,8,10,12,15,31H,4,7,9,11H2,1-3H3/t15-/m1/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272238
PNG
(US10065950, Example 79)
Show SMILES CC(C)N1CC(C#N)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H18F2N4O3S/c1-11(2)27-9-14(7-25)28-10-16(19(29)20(30)18(28)22(27)31)21-26-8-15(32-21)5-12-3-4-13(23)6-17(12)24/h3-4,6,8,10-11,14,30H,5,9H2,1-2H3
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272209
PNG
(US10065950, Example 50)
Show SMILES CC(C)N1C(Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O)C(O)=O
Show InChI InChI=1S/C21H18F2N4O5S/c1-9(2)27-14(21(31)32)8-26-7-12(17(28)18(29)16(26)20(27)30)19-25-24-15(33-19)5-10-3-4-11(22)6-13(10)23/h3-4,6-7,9,14,29H,5,8H2,1-2H3,(H,31,32)
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272170
PNG
(US10065950, Example 11)
Show SMILES CCOC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1CC1CC1
Show InChI InChI=1S/C24H25FN4O4S/c1-2-33-13-17-11-28-12-18(21(30)22(31)20(28)24(32)29(17)10-15-3-4-15)23-27-26-19(34-23)9-14-5-7-16(25)8-6-14/h5-8,12,15,17,31H,2-4,9-11,13H2,1H3/t17-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272482
PNG
(US10065950, Example 330)
Show SMILES CCN1[C@H](C)Cn2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H20FN3O3S/c1-3-25-12(2)10-24-11-16(18(26)19(27)17(24)21(25)28)20-23-9-15(29-20)8-13-4-6-14(22)7-5-13/h4-7,9,11-12,27H,3,8,10H2,1-2H3/t12-/m1/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272389
PNG
(US10065950, Example 233)
Show SMILES CC(C)N1[C@@H](C)Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H21FN4O3S/c1-11(2)26-12(3)9-25-10-15(18(27)19(28)17(25)21(26)29)20-24-23-16(30-20)8-13-4-6-14(22)7-5-13/h4-7,10-12,28H,8-9H2,1-3H3/t12-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272172
PNG
(US10065950, Example 13)
Show SMILES CCOC[C@@H]1Cn2cc(-c3nnc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1CC
Show InChI InChI=1S/C22H23FN4O4S/c1-3-27-15(12-31-4-2)10-26-11-16(19(28)20(29)18(26)22(27)30)21-25-24-17(32-21)9-13-5-7-14(23)8-6-13/h5-8,11,15,29H,3-4,9-10,12H2,1-2H3/t15-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272225
PNG
(US10065950, Example 66)
Show SMILES CC(C)N1CC(CN)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C22H22F2N4O3S/c1-11(2)27-9-14(7-25)28-10-16(19(29)20(30)18(28)22(27)31)21-26-8-15(32-21)5-12-3-4-13(23)6-17(12)24/h3-4,6,8,10-11,14,30H,5,7,9,25H2,1-2H3
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272259
PNG
(US10065950, Example 101)
Show SMILES CC(C)N1CC(CS(C)(=O)=O)n2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H23F2N3O5S2/c1-12(2)27-9-15(11-35(3,32)33)28-10-17(20(29)21(30)19(28)23(27)31)22-26-8-16(34-22)6-13-4-5-14(24)7-18(13)25/h4-5,7-8,10,12,15,30H,6,9,11H2,1-3H3
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272322
PNG
(US10065950, Example 164)
Show SMILES CN(C)C(=O)CC1CN(C2CC2)C(=O)c2c(O)c(=O)c(cn12)-c1ncc(Cc2ccc(F)cc2F)s1
Show InChI InChI=1S/C25H24F2N4O4S/c1-29(2)20(32)9-16-11-31(15-5-6-15)25(35)21-23(34)22(33)18(12-30(16)21)24-28-10-17(36-24)7-13-3-4-14(26)8-19(13)27/h3-4,8,10,12,15-16,34H,5-7,9,11H2,1-2H3
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272374
PNG
(US10065950, Example 218)
Show SMILES CCOC[C@@H]1Cn2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1CC1CC1
Show InChI InChI=1S/C25H26FN3O4S/c1-2-33-14-18-12-28-13-20(22(30)23(31)21(28)25(32)29(18)11-16-3-4-16)24-27-10-19(34-24)9-15-5-7-17(26)8-6-15/h5-8,10,13,16,18,31H,2-4,9,11-12,14H2,1H3/t18-/m0/s1
PDB

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Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272474
PNG
(US10065950, Example 318)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2C[C@]1(C)COC)-c1nnc(Cc2ccc(F)cc2)s1
Show InChI InChI=1S/C22H23FN4O4S/c1-4-27-21(30)17-19(29)18(28)15(10-26(17)11-22(27,2)12-31-3)20-25-24-16(32-20)9-13-5-7-14(23)8-6-13/h5-8,10,29H,4,9,11-12H2,1-3H3/t22-/m1/s1
PDB

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UniChem
n/an/a 6.5n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272378
PNG
(US10065950, Example 222)
Show SMILES CCOC[C@@H]1Cn2cc(-c3ncc(Cc4ccc(F)cc4)s3)c(=O)c(O)c2C(=O)N1CC
Show InChI InChI=1S/C23H24FN3O4S/c1-3-27-16(13-31-4-2)11-26-12-18(20(28)21(29)19(26)23(27)30)22-25-10-17(32-22)9-14-5-7-15(24)8-6-14/h5-8,10,12,16,29H,3-4,9,11,13H2,1-2H3/t16-/m0/s1
PDB

GoogleScholar
AffyNet 
UniChem
n/an/a 6.5n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272493
PNG
(US10065950, Example 355)
Show SMILES CCN1C(=O)c2c(O)c(=O)c(cn2CC1(C)C)-c1nnc(Cc2ccc(F)cc2)s1
Show InChI InChI=1S/C21H21FN4O3S/c1-4-26-20(29)16-18(28)17(27)14(10-25(16)11-21(26,2)3)19-24-23-15(30-19)9-12-5-7-13(22)8-6-12/h5-8,10,28H,4,9,11H2,1-3H3
PDB

GoogleScholar
AffyNet 
UniChem
n/an/a 6.60n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272317
PNG
(US10065950, Example 159)
Show SMILES CC(C)N1[C@H](CN(C)C(=O)C(C)C)Cn2cc(-c3nnc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C26H29F2N5O4S/c1-13(2)25(36)31(5)10-17-11-32-12-18(22(34)23(35)21(32)26(37)33(17)14(3)4)24-30-29-20(38-24)8-15-6-7-16(27)9-19(15)28/h6-7,9,12-14,17,35H,8,10-11H2,1-5H3/t17-/m1/s1
PDB

GoogleScholar
AffyNet 
UniChem
n/an/a 6.60n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

More data for this
Ligand-Target Pair
inhibitory activity


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM272220
PNG
(US10065950, Example 61)
Show SMILES COCC1Cn2cc(-c3ncc(Cc4ccc(F)cc4F)s3)c(=O)c(O)c2C(=O)N1C(C)C
Show InChI InChI=1S/C23H23F2N3O4S/c1-12(2)28-15(11-32-3)9-27-10-17(20(29)21(30)19(27)23(28)31)22-26-8-16(33-22)6-13-4-5-14(24)7-18(13)25/h4-5,7-8,10,12,15,30H,6,9,11H2,1-3H3
PDB

GoogleScholar
AffyNet 
UniChem
n/an/a 6.60n/an/an/an/an/an/a



Japan Tobacco Inc.

US Patent


Assay Description
The donor DNA was diluted with TE buffer to 20 nM, of which 50 μL was added to each well of streptavidin-coated black plate (manufactured by PIA...


US Patent US10065950 (2018)

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