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Patent code US10858366

Compile Data Set for Download or QSAR
Found 71 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polymerase acidic protein


()
BDBM474361
PNG
((S)-6-benzhydryl-11-hydroxy-3-(1H-pyrazol- 4-yl)-5...)
Show SMILES Oc1c2-c3ncc(-c4cn[nH]c4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474354
PNG
((S)-6-((S)-(3-fluorophenyl)(4- fluorophenyl)methyl...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(F)c3)n2ncc1=O
Show InChI InChI=1S/C22H16F2N4O2/c23-15-6-4-13(5-7-15)19(14-2-1-3-16(24)10-14)17-12-27-9-8-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-,19+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474346
PNG
((S)-6-benzhydryl-3-bromo-11-hydroxy-5H- imidazo[1,...)
Show SMILES Oc1c2-c3ncc(Br)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C23H18BrN3O2/c24-19-13-25-23-21-22(29)18(28)11-12-26(21)17(14-27(19)23)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,17,20,29H,14H2/t17-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474367
PNG
((S)-6-((S)-(3-bromophenyl)(4- fluorophenyl)methyl)...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(Br)c3)n2ncc1=O
Show InChI InChI=1S/C22H16BrFN4O2/c23-15-3-1-2-14(10-15)19(13-4-6-16(24)7-5-13)17-12-27-9-8-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-,19+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474357
PNG
((S)-6-((R)-(2-bromo-4-fluorophenyl)(4- fluoropheny...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@H](c3ccc(F)cc3)c3ccc(F)cc3Br)n2ncc1=O
Show InChI InChI=1S/C22H15BrF2N4O2/c23-16-9-14(25)5-6-15(16)19(12-1-3-13(24)4-2-12)17-11-28-8-7-26-22(28)20-21(31)18(30)10-27-29(17)20/h1-10,17,19,31H,11H2/t17-,19-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474343
PNG
((S)-6-Benzhydryl-11-hydroxy-5H- imidazo[1,2-a]pyri...)
Show SMILES Oc1c2-c3nccn3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C23H19N3O2/c27-19-11-13-26-18(15-25-14-12-24-23(25)21(26)22(19)28)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,18,20,28H,15H2/t18-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474344
PNG
((S)-6-Benzhydryl-3-chloro-11-hydroxy-5,6- dihydro-...)
Show SMILES Oc1c2-c3ncc(Cl)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C23H18ClN3O2/c24-19-13-25-23-21-22(29)18(28)11-12-26(21)17(14-27(19)23)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,17,20,29H,14H2/t17-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474358
PNG
((S)-6-((S)-(4-fluorophenyl)(o-tolyl)methyl)-11- hy...)
Show SMILES Cc1ccccc1[C@@H]([C@H]1Cn2ccnc2-c2c(O)c(=O)cnn12)c1ccc(F)cc1
Show InChI InChI=1S/C23H19FN4O2/c1-14-4-2-3-5-17(14)20(15-6-8-16(24)9-7-15)18-13-27-11-10-25-23(27)21-22(30)19(29)12-26-28(18)21/h2-12,18,20,30H,13H2,1H3/t18-,20+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474350
PNG
((S)-6-((S)-(4-fluorophenyl)(phenyl)methyl)- 11-hyd...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccccc3)c3ccc(F)cc3)n2ncc1=O
Show InChI InChI=1S/C22H17FN4O2/c23-16-8-6-15(7-9-16)19(14-4-2-1-3-5-14)17-13-26-11-10-24-22(26)20-21(29)18(28)12-25-27(17)20/h1-12,17,19,29H,13H2/t17-,19+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474349
PNG
((S)-6-((R)-(4-fluorophenyl)(phenyl)methyl)- 11-hyd...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@H](c3ccccc3)c3ccc(F)cc3)n2ncc1=O
Show InChI InChI=1S/C22H17FN4O2/c23-16-8-6-15(7-9-16)19(14-4-2-1-3-5-14)17-13-26-11-10-24-22(26)20-21(29)18(28)12-25-27(17)20/h1-12,17,19,29H,13H2/t17-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474355
PNG
((S)-6-((S)-(4-chlorophenyl)(4- fluorophenyl)methyl...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3ccc(Cl)cc3)n2ncc1=O
Show InChI InChI=1S/C22H16ClFN4O2/c23-15-5-1-13(2-6-15)19(14-3-7-16(24)8-4-14)17-12-27-10-9-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-,19-/m1/s1
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Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474359
PNG
(3-((S)-(4-fluorophenyl)((S)-11-hydroxy-10- oxo-5,6...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(c3)C#N)n2ncc1=O
Show InChI InChI=1S/C23H16FN5O2/c24-17-6-4-15(5-7-17)20(16-3-1-2-14(10-16)11-25)18-13-28-9-8-26-23(28)21-22(31)19(30)12-27-29(18)21/h1-10,12,18,20,31H,13H2/t18-,20+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474351
PNG
((S)-6-((R)-(4-fluorophenyl)(5-fluoropyridin-3- yl)...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@H](c3ccc(F)cc3)c3cncc(F)c3)n2ncc1=O
Show InChI InChI=1S/C21H15F2N5O2/c22-14-3-1-12(2-4-14)18(13-7-15(23)9-24-8-13)16-11-27-6-5-25-21(27)19-20(30)17(29)10-26-28(16)19/h1-10,16,18,30H,11H2/t16-,18-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474364
PNG
((S)-6-benzhydryl-3-(difluoromethyl)-11- hydroxy-5,...)
Show SMILES Oc1c2-c3ncc(C(F)F)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C24H19F2N3O2/c25-23(26)17-13-27-24-21-22(31)19(30)11-12-28(21)18(14-29(17)24)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,18,20,23,31H,14H2/t18-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474347
PNG
((S)-6-benzhydryl-3-cyclopropyl-11-hydroxy- 5H-imid...)
Show SMILES Oc1c2-c3ncc(C4CC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C26H23N3O2/c30-22-13-14-28-21(23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)16-29-20(17-11-12-17)15-27-26(29)24(28)25(22)31/h1-10,13-15,17,21,23,31H,11-12,16H2/t21-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474366
PNG
(6-benzhydryl-5-ethyl-11-hydroxy-5,6-dihydro- 10H-i...)
Show SMILES CCC1N(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2-c2nccn12
Show InChI InChI=1S/C24H22N4O2/c1-2-20-26-16-14-25-24(26)22-23(30)19(29)13-15-27(22)28(20)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,20-21,30H,2H2,1H3
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Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474356
PNG
((S)-6-((S)-(4-fluorophenyl)(m-tolyl)methyl)- 11-hy...)
Show SMILES Cc1cccc(c1)[C@@H]([C@H]1Cn2ccnc2-c2c(O)c(=O)cnn12)c1ccc(F)cc1
Show InChI InChI=1S/C23H19FN4O2/c1-14-3-2-4-16(11-14)20(15-5-7-17(24)8-6-15)18-13-27-10-9-25-23(27)21-22(30)19(29)12-26-28(18)21/h2-12,18,20,30H,13H2,1H3/t18-,20+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474345
PNG
(6-benzhydryl-11-hydroxy-5,6-dihydro-10H- imidazo[1...)
Show SMILES Oc1c2-c3nccn3CN(C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C22H18N4O2/c27-18-11-13-25-20(21(18)28)22-23-12-14-24(22)15-26(25)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19,28H,15H2
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Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474340
PNG
(6-Benzhydryl-11-hydroxy-5H- imidazo[2',1':3,4]pyra...)
Show SMILES Oc1c2-c3nccn3CC(C(c3ccccc3)c3ccccc3)n2ncc1=O
Show InChI InChI=1S/C22H18N4O2/c27-18-13-24-26-17(14-25-12-11-23-22(25)20(26)21(18)28)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,17,19,28H,14H2
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Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474353
PNG
((S)-6-(bis(3-fluorophenyl)methyl)-11- hydroxy-5,6-...)
Show SMILES Oc1c2-c3nccn3C[C@H](C(c3cccc(F)c3)c3cccc(F)c3)n2ncc1=O
Show InChI InChI=1S/C22H16F2N4O2/c23-15-5-1-3-13(9-15)19(14-4-2-6-16(24)10-14)17-12-27-8-7-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474360
PNG
(3-((R)-(3-fluorophenyl)((S)-11-hydroxy-10- oxo-5,6...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3cccc(F)c3)c3cccc(c3)C#N)n2ncc1=O
Show InChI InChI=1S/C23H16FN5O2/c24-17-6-2-5-16(10-17)20(15-4-1-3-14(9-15)11-25)18-13-28-8-7-26-23(28)21-22(31)19(30)12-27-29(18)21/h1-10,12,18,20,31H,13H2/t18-,20-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474362
PNG
((S)-6-benzhydryl-11-hydroxy-3-phenyl-5,6- dihydro-...)
Show SMILES Oc1c2-c3ncc(-c4ccccc4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C29H23N3O2/c33-25-16-17-31-24(26(21-12-6-2-7-13-21)22-14-8-3-9-15-22)19-32-23(20-10-4-1-5-11-20)18-30-29(32)27(31)28(25)34/h1-18,24,26,34H,19H2/t24-/m1/s1
PDB

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n/an/a 60n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474341
PNG
(6-(bis(3-fluorophenyl)methyl)-11-hydroxy- 5,6-dihy...)
Show SMILES Oc1c2-c3nccn3CC(C(c3cccc(F)c3)c3cccc(F)c3)n2ncc1=O
Show InChI InChI=1S/C22H16F2N4O2/c23-15-5-1-3-13(9-15)19(14-4-2-6-16(24)10-14)17-12-27-8-7-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2
PDB

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Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474348
PNG
((S)-6-benzhydryl-11-hydroxy-2,3-dimethyl- 5H-imida...)
Show SMILES Cc1nc2-c3c(O)c(=O)ccn3[C@H](Cn2c1C)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c1-16-17(2)28-15-20(27-14-13-21(29)24(30)23(27)25(28)26-16)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,20,22,30H,15H2,1-2H3/t20-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474363
PNG
((S)-6-benzhydryl-11-hydroxy-3- (methoxymethyl)-5,6...)
Show SMILES COCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O3/c1-31-16-19-14-26-25-23-24(30)21(29)12-13-27(23)20(15-28(19)25)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,20,22,30H,15-16H2,1H3/t20-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474369
PNG
((S)-6-benzhydryl-11-hydroxy-3- (hydroxymethyl)-5,6...)
Show SMILES OCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c28-15-18-13-25-24-22-23(30)20(29)11-12-26(22)19(14-27(18)24)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,19,21,28,30H,14-15H2/t19-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474365
PNG
(6-benzhydryl-11-hydroxy-5,5-dimethyl-5,6- dihydro-...)
Show SMILES CC1(C)N(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2-c2nccn12
Show InChI InChI=1S/C24H22N4O2/c1-24(2)26-16-14-25-23(26)21-22(30)19(29)13-15-27(21)28(24)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,20,30H,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474352
PNG
((S)-6-((R)-(4-fluorophenyl)(6- (trifluoromethyl)py...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@H](c3ccc(F)cc3)c3ccc(nc3)C(F)(F)F)n2ncc1=O
Show InChI InChI=1S/C22H15F4N5O2/c23-14-4-1-12(2-5-14)18(13-3-6-17(28-9-13)22(24,25)26)15-11-30-8-7-27-21(30)19-20(33)16(32)10-29-31(15)19/h1-10,15,18,33H,11H2/t15-,18-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Polymerase acidic protein


()
BDBM474342
PNG
(6-benzhydryl-11-hydroxy-5,6-dihydro-10H- [1,2,4]tr...)
Show SMILES Oc1c2-c3ncnn3CC(C(c3ccccc3)c3ccccc3)n2ncc1=O
Show InChI InChI=1S/C21H17N5O2/c27-17-11-23-26-16(12-25-21(22-13-24-25)19(26)20(17)28)18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,16,18,28H,12H2
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n/an/a 400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Compounds were dissolved and serially diluted in 100% DMSO then 0.5 μl was transferred to 384-well plates. 50 nM truncated Influenza A/victoria/...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474368
PNG
((S)-6-(bis(4-fluorophenyl)methyl)-3-bromo- 11-hydr...)
Show SMILES Oc1c2-c3ncc(Br)n3C[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)n2ncc1=O
Show InChI InChI=1S/C22H15BrF2N4O2/c23-18-10-26-22-20-21(31)17(30)9-27-29(20)16(11-28(18)22)19(12-1-5-14(24)6-2-12)13-3-7-15(25)8-4-13/h1-10,16,19,31H,11H2/t16-/m1/s1
PDB
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n/an/an/an/a 290n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474372
PNG
((S)-6-benzhydryl-11-hydroxy-3- ((methylamino)methy...)
Show SMILES CNCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H24N4O2/c1-26-14-19-15-27-25-23-24(31)21(30)12-13-28(23)20(16-29(19)25)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15,20,22,26,31H,14,16H2,1H3/t20-/m1/s1
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n/an/an/an/a 3.40E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474373
PNG
((S)-6-benzhydryl-3- ((cyclohexylamino)methyl)-11-h...)
Show SMILES Oc1c2-c3ncc(CNC4CCCCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C30H32N4O2/c35-26-16-17-33-25(27(21-10-4-1-5-11-21)22-12-6-2-7-13-22)20-34-24(18-31-23-14-8-3-9-15-23)19-32-30(34)28(33)29(26)36/h1-2,4-7,10-13,16-17,19,23,25,27,31,36H,3,8-9,14-15,18,20H2/t25-/m1/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474378
PNG
((S)-6-benzhydryl-11-hydroxy-N-(2- methoxyethyl)-10...)
Show SMILES COCCNC(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H26N4O4/c1-35-15-13-28-27(34)20-16-29-26-24-25(33)22(32)12-14-30(24)21(17-31(20)26)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,14,16,21,23,33H,13,15,17H2,1H3,(H,28,34)/t21-/m1/s1
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n/an/an/an/a 1.90E+4n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474378
PNG
((S)-6-benzhydryl-11-hydroxy-N-(2- methoxyethyl)-10...)
Show SMILES COCCNC(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H26N4O4/c1-35-15-13-28-27(34)20-16-29-26-24-25(33)22(32)12-14-30(24)21(17-31(20)26)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,14,16,21,23,33H,13,15,17H2,1H3,(H,28,34)/t21-/m1/s1
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n/an/an/an/a 2.70E+4n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474379
PNG
(6-benzhydryl-11-hydroxy-6H,10H- spiro[imidazo[1,2-...)
Show SMILES Oc1c2-c3nccn3C3(COC3)N(C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C24H20N4O3/c29-19-11-13-27-21(22(19)30)23-25-12-14-26(23)24(15-31-16-24)28(27)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20,30H,15-16H2
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n/an/an/an/a 1.50E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474367
PNG
((S)-6-((S)-(3-bromophenyl)(4- fluorophenyl)methyl)...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(Br)c3)n2ncc1=O
Show InChI InChI=1S/C22H16BrFN4O2/c23-15-3-1-2-14(10-15)19(13-4-6-16(24)7-5-13)17-12-27-9-8-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-,19+/m1/s1
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n/an/an/an/a 45n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474375
PNG
((S)-6-benzhydryl-11-hydroxy-3- (morpholinomethyl)-...)
Show SMILES Oc1c2-c3ncc(CN4CCOCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C28H28N4O3/c33-24-11-12-31-23(25(20-7-3-1-4-8-20)21-9-5-2-6-10-21)19-32-22(18-30-13-15-35-16-14-30)17-29-28(32)26(31)27(24)34/h1-12,17,23,25,34H,13-16,18-19H2/t23-/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474376
PNG
((S)-6-benzhydryl-11-hydroxy-N,N-dimethyl- 10-oxo-5...)
Show SMILES CN(C)C(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24N4O3/c1-28(2)26(33)19-15-27-25-23-24(32)21(31)13-14-29(23)20(16-30(19)25)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,20,22,32H,16H2,1-2H3/t20-/m1/s1
UniProtKB/TrEMBL

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n/an/an/an/a 1.70E+4n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474367
PNG
((S)-6-((S)-(3-bromophenyl)(4- fluorophenyl)methyl)...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(Br)c3)n2ncc1=O
Show InChI InChI=1S/C22H16BrFN4O2/c23-15-3-1-2-14(10-15)19(13-4-6-16(24)7-5-13)17-12-27-9-8-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-,19+/m1/s1
UniProtKB/TrEMBL

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n/an/an/an/a 65n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474370
PNG
((S)-6-benzhydryl-11-hydroxy-3- (trifluoromethyl)-5...)
Show SMILES Oc1c2-c3ncc(n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O)C(F)(F)F
Show InChI InChI=1S/C24H18F3N3O2/c25-24(26,27)19-13-28-23-21-22(32)18(31)11-12-29(21)17(14-30(19)23)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,17,20,32H,14H2/t17-/m1/s1
UniProtKB/TrEMBL

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n/an/an/an/a 820n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474378
PNG
((S)-6-benzhydryl-11-hydroxy-N-(2- methoxyethyl)-10...)
Show SMILES COCCNC(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H26N4O4/c1-35-15-13-28-27(34)20-16-29-26-24-25(33)22(32)12-14-30(24)21(17-31(20)26)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-12,14,16,21,23,33H,13,15,17H2,1H3,(H,28,34)/t21-/m1/s1
PDB
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n/an/an/an/a>5.00E+4n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474379
PNG
(6-benzhydryl-11-hydroxy-6H,10H- spiro[imidazo[1,2-...)
Show SMILES Oc1c2-c3nccn3C3(COC3)N(C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C24H20N4O3/c29-19-11-13-27-21(22(19)30)23-25-12-14-26(23)24(15-31-16-24)28(27)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20,30H,15-16H2
UniProtKB/TrEMBL

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n/an/an/an/a 390n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474380
PNG
(5-benzhydryl-10-hydroxy-3-methyl-4,5- dihydroimida...)
Show SMILES Cn1cnc-2c1CN(C(c1ccccc1)c1ccccc1)n1ccc(=O)c(O)c-21
Show InChI InChI=1S/C23H20N4O2/c1-25-15-24-20-18(25)14-27(26-13-12-19(28)23(29)22(20)26)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,15,21,29H,14H2,1H3
PDB
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n/an/an/an/a 4.00E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474368
PNG
((S)-6-(bis(4-fluorophenyl)methyl)-3-bromo- 11-hydr...)
Show SMILES Oc1c2-c3ncc(Br)n3C[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)n2ncc1=O
Show InChI InChI=1S/C22H15BrF2N4O2/c23-18-10-26-22-20-21(31)17(30)9-27-29(20)16(11-28(18)22)19(12-1-5-14(24)6-2-12)13-3-7-15(25)8-4-13/h1-10,16,19,31H,11H2/t16-/m1/s1
PDB
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n/an/an/an/a 840n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474369
PNG
((S)-6-benzhydryl-11-hydroxy-3- (hydroxymethyl)-5,6...)
Show SMILES OCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c28-15-18-13-25-24-22-23(30)20(29)11-12-26(22)19(14-27(18)24)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,19,21,28,30H,14-15H2/t19-/m1/s1
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n/an/an/an/a 4.60E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474377
PNG
((S)-6-benzhydryl-11-hydroxy-N-methyl-10- oxo-5,6-d...)
Show SMILES CNC(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N4O3/c1-26-25(32)18-14-27-24-22-23(31)20(30)12-13-28(22)19(15-29(18)24)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19,21,31H,15H2,1H3,(H,26,32)/t19-/m1/s1
PDB
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n/an/an/an/a>5.00E+4n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474377
PNG
((S)-6-benzhydryl-11-hydroxy-N-methyl-10- oxo-5,6-d...)
Show SMILES CNC(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N4O3/c1-26-25(32)18-14-27-24-22-23(31)20(30)12-13-28(22)19(15-29(18)24)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19,21,31H,15H2,1H3,(H,26,32)/t19-/m1/s1
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n/an/an/an/a 1.40E+4n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474368
PNG
((S)-6-(bis(4-fluorophenyl)methyl)-3-bromo- 11-hydr...)
Show SMILES Oc1c2-c3ncc(Br)n3C[C@H](C(c3ccc(F)cc3)c3ccc(F)cc3)n2ncc1=O
Show InChI InChI=1S/C22H15BrF2N4O2/c23-18-10-26-22-20-21(31)17(30)9-27-29(20)16(11-28(18)22)19(12-1-5-14(24)6-2-12)13-3-7-15(25)8-4-13/h1-10,16,19,31H,11H2/t16-/m1/s1
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n/an/an/an/a 560n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474375
PNG
((S)-6-benzhydryl-11-hydroxy-3- (morpholinomethyl)-...)
Show SMILES Oc1c2-c3ncc(CN4CCOCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C28H28N4O3/c33-24-11-12-31-23(25(20-7-3-1-4-8-20)21-9-5-2-6-10-21)19-32-22(18-30-13-15-35-16-14-30)17-29-28(32)26(31)27(24)34/h1-12,17,23,25,34H,13-16,18-19H2/t23-/m1/s1
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n/an/an/an/a 4.10E+3n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474375
PNG
((S)-6-benzhydryl-11-hydroxy-3- (morpholinomethyl)-...)
Show SMILES Oc1c2-c3ncc(CN4CCOCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C28H28N4O3/c33-24-11-12-31-23(25(20-7-3-1-4-8-20)21-9-5-2-6-10-21)19-32-22(18-30-13-15-35-16-14-30)17-29-28(32)26(31)27(24)34/h1-12,17,23,25,34H,13-16,18-19H2/t23-/m1/s1
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n/an/an/an/a 3.80E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474370
PNG
((S)-6-benzhydryl-11-hydroxy-3- (trifluoromethyl)-5...)
Show SMILES Oc1c2-c3ncc(n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O)C(F)(F)F
Show InChI InChI=1S/C24H18F3N3O2/c25-24(26,27)19-13-28-23-21-22(32)18(31)11-12-29(21)17(14-30(19)23)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,17,20,32H,14H2/t17-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474371
PNG
((S)-6-benzhydryl-11-hydroxy-10-oxo-5,6- dihydro-10...)
Show SMILES Oc1c2-c3ncc(C#N)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C24H18N4O2/c25-13-18-14-26-24-22-23(30)20(29)11-12-27(22)19(15-28(18)24)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,14,19,21,30H,15H2/t19-/m1/s1
PDB
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n/an/an/an/a 5.70E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474372
PNG
((S)-6-benzhydryl-11-hydroxy-3- ((methylamino)methy...)
Show SMILES CNCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H24N4O2/c1-26-14-19-15-27-25-23-24(31)21(30)12-13-28(23)20(16-29(19)25)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15,20,22,26,31H,14,16H2,1H3/t20-/m1/s1
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n/an/an/an/a 5.70E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474373
PNG
((S)-6-benzhydryl-3- ((cyclohexylamino)methyl)-11-h...)
Show SMILES Oc1c2-c3ncc(CNC4CCCCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C30H32N4O2/c35-26-16-17-33-25(27(21-10-4-1-5-11-21)22-12-6-2-7-13-22)20-34-24(18-31-23-14-8-3-9-15-23)19-32-30(34)28(33)29(26)36/h1-2,4-7,10-13,16-17,19,23,25,27,31,36H,3,8-9,14-15,18,20H2/t25-/m1/s1
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n/an/an/an/a 3.90E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474374
PNG
((S)-6-benzhydryl-3-((dimethylamino)methyl)- 11-hyd...)
Show SMILES CN(C)Cc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c1-28(2)16-20-15-27-26-24-25(32)22(31)13-14-29(24)21(17-30(20)26)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21,23,32H,16-17H2,1-2H3/t21-/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474376
PNG
((S)-6-benzhydryl-11-hydroxy-N,N-dimethyl- 10-oxo-5...)
Show SMILES CN(C)C(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24N4O3/c1-28(2)26(33)19-15-27-25-23-24(32)21(31)13-14-29(23)20(16-30(19)25)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,20,22,32H,16H2,1-2H3/t20-/m1/s1
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n/an/an/an/a 6.30E+3n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474376
PNG
((S)-6-benzhydryl-11-hydroxy-N,N-dimethyl- 10-oxo-5...)
Show SMILES CN(C)C(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24N4O3/c1-28(2)26(33)19-15-27-25-23-24(32)21(31)13-14-29(23)20(16-30(19)25)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,20,22,32H,16H2,1-2H3/t20-/m1/s1
PDB
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n/an/an/an/a 3.20E+4n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474380
PNG
(5-benzhydryl-10-hydroxy-3-methyl-4,5- dihydroimida...)
Show SMILES Cn1cnc-2c1CN(C(c1ccccc1)c1ccccc1)n1ccc(=O)c(O)c-21
Show InChI InChI=1S/C23H20N4O2/c1-25-15-24-20-18(25)14-27(26-13-12-19(28)23(29)22(20)26)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,15,21,29H,14H2,1H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474367
PNG
((S)-6-((S)-(3-bromophenyl)(4- fluorophenyl)methyl)...)
Show SMILES Oc1c2-c3nccn3C[C@H]([C@@H](c3ccc(F)cc3)c3cccc(Br)c3)n2ncc1=O
Show InChI InChI=1S/C22H16BrFN4O2/c23-15-3-1-2-14(10-15)19(13-4-6-16(24)7-5-13)17-12-27-9-8-25-22(27)20-21(30)18(29)11-26-28(17)20/h1-11,17,19,30H,12H2/t17-,19+/m1/s1
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n/an/an/an/a 190n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474369
PNG
((S)-6-benzhydryl-11-hydroxy-3- (hydroxymethyl)-5,6...)
Show SMILES OCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c28-15-18-13-25-24-22-23(30)20(29)11-12-26(22)19(14-27(18)24)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,19,21,28,30H,14-15H2/t19-/m1/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474369
PNG
((S)-6-benzhydryl-11-hydroxy-3- (hydroxymethyl)-5,6...)
Show SMILES OCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c28-15-18-13-25-24-22-23(30)20(29)11-12-26(22)19(14-27(18)24)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13,19,21,28,30H,14-15H2/t19-/m1/s1
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n/an/an/an/a 1.60E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474371
PNG
((S)-6-benzhydryl-11-hydroxy-10-oxo-5,6- dihydro-10...)
Show SMILES Oc1c2-c3ncc(C#N)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C24H18N4O2/c25-13-18-14-26-24-22-23(30)20(29)11-12-27(22)19(15-28(18)24)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,14,19,21,30H,15H2/t19-/m1/s1
PDB
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n/an/an/an/a 1.40E+3n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


()
BDBM474371
PNG
((S)-6-benzhydryl-11-hydroxy-10-oxo-5,6- dihydro-10...)
Show SMILES Oc1c2-c3ncc(C#N)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C24H18N4O2/c25-13-18-14-26-24-22-23(30)20(29)11-12-27(22)19(15-28(18)24)21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,14,19,21,30H,15H2/t19-/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Novartis AG

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US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474373
PNG
((S)-6-benzhydryl-3- ((cyclohexylamino)methyl)-11-h...)
Show SMILES Oc1c2-c3ncc(CNC4CCCCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C30H32N4O2/c35-26-16-17-33-25(27(21-10-4-1-5-11-21)22-12-6-2-7-13-22)20-34-24(18-31-23-14-8-3-9-15-23)19-32-30(34)28(33)29(26)36/h1-2,4-7,10-13,16-17,19,23,25,27,31,36H,3,8-9,14-15,18,20H2/t25-/m1/s1
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n/an/an/an/a 6.10E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474374
PNG
((S)-6-benzhydryl-3-((dimethylamino)methyl)- 11-hyd...)
Show SMILES CN(C)Cc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c1-28(2)16-20-15-27-26-24-25(32)22(31)13-14-29(24)21(17-30(20)26)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21,23,32H,16-17H2,1-2H3/t21-/m1/s1
PDB
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n/an/an/an/a 1.70E+3n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474374
PNG
((S)-6-benzhydryl-3-((dimethylamino)methyl)- 11-hyd...)
Show SMILES CN(C)Cc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26N4O2/c1-28(2)16-20-15-27-26-24-25(32)22(31)13-14-29(24)21(17-30(20)26)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,21,23,32H,16-17H2,1-2H3/t21-/m1/s1
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n/an/an/an/a 4.30E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474377
PNG
((S)-6-benzhydryl-11-hydroxy-N-methyl-10- oxo-5,6-d...)
Show SMILES CNC(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N4O3/c1-26-25(32)18-14-27-24-22-23(31)20(30)12-13-28(22)19(15-29(18)24)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,19,21,31H,15H2,1H3,(H,26,32)/t19-/m1/s1
PDB
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n/an/an/an/a 1.50E+4n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474379
PNG
(6-benzhydryl-11-hydroxy-6H,10H- spiro[imidazo[1,2-...)
Show SMILES Oc1c2-c3nccn3C3(COC3)N(C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C24H20N4O3/c29-19-11-13-27-21(22(19)30)23-25-12-14-26(23)24(15-31-16-24)28(27)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20,30H,15-16H2
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n/an/an/an/a 610n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Memphis/1/1971 H3N2))
BDBM474370
PNG
((S)-6-benzhydryl-11-hydroxy-3- (trifluoromethyl)-5...)
Show SMILES Oc1c2-c3ncc(n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O)C(F)(F)F
Show InChI InChI=1S/C24H18F3N3O2/c25-24(26,27)19-13-28-23-21-22(32)18(31)11-12-29(21)17(14-30(19)23)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,17,20,32H,14H2/t17-/m1/s1
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n/an/an/an/a 1.80E+3n/an/an/an/a



Novartis AG

US Patent




US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474372
PNG
((S)-6-benzhydryl-11-hydroxy-3- ((methylamino)methy...)
Show SMILES CNCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H24N4O2/c1-26-14-19-15-27-25-23-24(31)21(30)12-13-28(23)20(16-29(19)25)22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15,20,22,26,31H,14,16H2,1H3/t20-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.30E+3n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)
BDBM474380
PNG
(5-benzhydryl-10-hydroxy-3-methyl-4,5- dihydroimida...)
Show SMILES Cn1cnc-2c1CN(C(c1ccccc1)c1ccccc1)n1ccc(=O)c(O)c-21
Show InChI InChI=1S/C23H20N4O2/c1-25-15-24-20-18(25)14-27(26-13-12-19(28)23(29)22(20)26)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,15,21,29H,14H2,1H3
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.00E+3n/an/an/an/a



Novartis AG

US Patent


Assay Description
For influenza NA assays, MDCK cells were plated in Phenol Red-free DMEM (Gibco) supplemented with 2 mM L-Glutamine, 1% sodium pyruvate (Cellgro, Mana...


US Patent US10858366 (2020)

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