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Patent code US10669268

Compile Data Set for Download or QSAR

Found 343 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
Ataxin-1


(Homo sapiens (Human))
BDBM446431
PNG
(1-[(3aS,6aS)-5-[(5R)-4,5,6,7-tetrahydro-1H-benzotr...)
Show SMILES CC(C)(C)c1cc(Br)ccc1OCC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

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US Patent
n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446120
PNG
((E)-1-((3aR,8aS)-2-(1H-benzo[d][1,2,3]triazole-5-c...)
Show SMILES Fc1cc(\C=C\C(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)c2ccc3[nH]nnc3c2)ccc1OC(F)(F)F
PDB

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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446405
PNG
(4-{2-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-he...)
Show SMILES CC(C)c1cc(ccc1OCC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1)C#N
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446180
PNG
(US10669268, Example 8.01)
Show SMILES FC(F)(F)Oc1ccc(\C=C\C(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)N2CCc3[nH]nnc3C2)cc1
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446232
PNG
(US10669268, Example 15.27)
Show SMILES Clc1cc(Cl)cc(\C=C\C(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)c2ccc3[nH]nnc3c2)c1
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446331
PNG
((3aS,8aR)-2-(1H-benzotriazole-5-carbonyl)-octahydr...)
Show SMILES Fc1cc(OCC(F)(F)F)ccc1COC(=O)N1CC[C@@H]2CN(C[C@@H]2CC1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446430
PNG
(US10669268, Example 19.28 | [(3aS,6aS)-5-[(5R)-4,5...)
Show SMILES FC(F)(F)COc1nc(cc2ccccc12)C(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446434
PNG
(4-[2-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-1,...)
Show SMILES CC(C)(C)c1cc(ccc1OCC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1)C#N
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446362
PNG
((3aS,6aS)-5-((R)-4,5,6,7-tetrahydro-1H-benzotriazo...)
Show SMILES Fc1cc(COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)ccc1OC(F)(F)F
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446291
PNG
(1-((3aR,8aS)-2-(1H-Benzo[d][1,2,3]triazole-5-carbo...)
Show SMILES Fc1cc(CCC(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)c2ccc3[nH]nnc3c2)ccc1OC(F)(F)F
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446437
PNG
(US10669268, Example 19.35 | [(3aS,6aS)-5-[(5R)-4,5...)
Show SMILES CCOc1nc(cc2ccccc12)C(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446325
PNG
(1-((3aR,8aS)-2-(1H-benzo[d][1,2,3]triazole-5-carbo...)
Show SMILES FC(F)(F)c1ccc(Cl)cc1OCC(=O)N1CC[C@@H]2CN(C[C@@H]2CC1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446433
PNG
(4-[2-[(3aS,6aS)-5-[(5R)-4,5,6,7-tetrahydro-1H-benz...)
Show SMILES CC(C)(C)c1cc(ccc1OCC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1)C#N
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446330
PNG
((3aS,8aR)-2-(1H-benzotriazole-5-carbonyl)-octahydr...)
Show SMILES Fc1cc(COC(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)c2ccc3[nH]nnc3c2)ccc1OCC(F)(F)F
PDB

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n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446241
PNG
(US10669268, Example 15.36)
Show SMILES FC(F)Oc1ccc(\C=C\C(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446359
PNG
((3aS,6aS)-5-((R)-4,5,6,7-tetrahydro-1H-benzotriazo...)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446270
PNG
(US10669268, Example 15.65)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446239
PNG
(US10669268, Example 15.34)
Show SMILES Fc1cc(ccc1\C=C\C(=O)N1CC[C@@H]2CN(C[C@@H]2CC1)C(=O)c1ccc2[nH]nnc2c1)C#N
PDB

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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446423
PNG
(4-[3-[(3aR,6aR)-5-(1H-benzotriazole-5-carbonyl)-1,...)
Show SMILES CC(C)c1cc(C#N)c(C)cc1CCC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446360
PNG
((3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-hexahydr...)
Show SMILES Fc1cc(OC(F)(F)F)ccc1COC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446386
PNG
(US10669268, Example 15.90 | US10669268, Example 19...)
Show SMILES FC(F)(F)Oc1ccc(OCC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)cc1
PDB

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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446257
PNG
(US10669268, Example 15.52)
Show SMILES FC(F)(F)Oc1ccc(\C=C\C(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)C2CCc3[nH]nnc3C2)cc1
PDB

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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446328
PNG
(1-[(3aS,8aR)-2-(1H-benzotriazole-5-carbonyl)-1,3,3...)
Show SMILES Fc1cc(CCC(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)c2ccc3[nH]nnc3c2)ccc1OCC(F)(F)F
PDB

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n/an/a 3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446291
PNG
(1-((3aR,8aS)-2-(1H-Benzo[d][1,2,3]triazole-5-carbo...)
Show SMILES Fc1cc(CCC(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)c2ccc3[nH]nnc3c2)ccc1OC(F)(F)F
PDB

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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446116
PNG
((3aR,8aS)-3,5-dichlorobenzyl 2-(1H-benzo[d][1,2,3]...)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)c2ccc3[nH]nnc3c2)c1
PDB

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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446143
PNG
(US10669268, Example 4.10 | trans-3,5-dichlorobenzy...)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2C[C@H]3CCN(C[C@@H]3C2)C(=O)c2ccc3[nH]nnc3c2)c1
PDB

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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446160
PNG
((3aS,6aR)-5-(1H-benzotriazole-5-carbonyl)-hexahydr...)
Show SMILES FC(F)(F)Oc1cc(Cl)cc(COC(=O)N2C[C@H]3CN(C[C@H]3C2)C(=O)c2ccc3[nH]nnc3c2)c1
PDB

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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446354
PNG
((3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-hexahydr...)
Show SMILES Fc1cc(COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c2ccc3[nH]nnc3c2)ccc1OC(F)(F)F
PDB

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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446291
PNG
(1-((3aR,8aS)-2-(1H-Benzo[d][1,2,3]triazole-5-carbo...)
Show SMILES Fc1cc(CCC(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)c2ccc3[nH]nnc3c2)ccc1OC(F)(F)F
PDB

UniProtKB/SwissProt

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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446358
PNG
((3aS,6aS)-5-((R)-4,5,6,7-tetrahydro-1H-benzotriazo...)
Show SMILES CC(C)c1cc(C#N)c(C)cc1COC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

UniProtKB/SwissProt

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n/an/a 4n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446269
PNG
(US10669268, Example 15.64)
Show SMILES CC(C)c1cc(Cl)c(C)cc1OCC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446421
PNG
(1-[(3aR,6aR)-5-(1H-benzotriazole-5-carbonyl)-hexah...)
Show SMILES Fc1cc(ccc1CCC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1)C(F)(F)F
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446428
PNG
(1-[(3aR,6aR)-5-[(5R)-4,5,6,7-tetrahydro-1H-benzotr...)
Show SMILES Fc1cc(OC(F)(F)F)ccc1CCC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446263
PNG
(US10669268, Example 15.58 | US10669268, Example 15...)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446432
PNG
(1-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-1,3,3...)
Show SMILES CC(C)(C)c1cc(Br)ccc1OCC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446364
PNG
((3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-hexahydr...)
Show SMILES CC(C)c1cc(C#N)c(C)cc1COC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446226
PNG
(US10669268, Example 15.21)
Show SMILES FC(F)Oc1ccc(\C=C\C(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446280
PNG
(US10669268, Example 15.75)
Show SMILES FC(F)(F)Oc1ccc(\C=C\C(=O)N2C[C@H]3CCN(C[C@@H]3C2)C(=O)c2ccc3[nH]nnc3c2)cc1Cl
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446407
PNG
(4-{2-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-he...)
Show SMILES CC(C)c1cc(C#N)c(C)cc1OCC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446128
PNG
(US10669268, Example 2 | US10669268, Example 2.01 |...)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC[C@@H]3CN(C[C@H]3C2)C(=O)c2ccc3[nH]c(=O)oc3c2)c1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446244
PNG
(US10669268, Example 15.39)
Show SMILES Fc1cc(OC(F)(F)F)ccc1\C=C\C(=O)N1CC[C@@H]2CN(C[C@@H]2CC1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446357
PNG
((3aS,6aS)-5-((R)-4,5,6,7-tetrahydro-1H-benzotriazo...)
Show SMILES CC(C)c1cc(ccc1COC(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1)C#N
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446438
PNG
(1-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)-1,3,3...)
Show SMILES COc1ccc(OCC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)c2ccc3[nH]nnc3c2)c(c1)C(C)(C)C
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446245
PNG
(US10669268, Example 15.40)
Show SMILES Fc1cc(OC(F)(F)F)ccc1\C=C\C(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446128
PNG
(US10669268, Example 2 | US10669268, Example 2.01 |...)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2CC[C@@H]3CN(C[C@H]3C2)C(=O)c2ccc3[nH]c(=O)oc3c2)c1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446366
PNG
((3aR,6aR)-5-(1H-benzotriazole-5-carbonyl)-hexahydr...)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2C[C@H]3CN(C[C@@H]3C2)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446371
PNG
((3aS,6aS)-5-((R)-4,5,6,7-tetrahydro-1H-benzotriazo...)
Show SMILES CS(=O)(=O)c1cc(Cl)cc(COC(=O)N2C[C@@H]3CN(C[C@H]3C2)C(=O)[C@@H]2CCc3[nH]nnc3C2)c1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446440
PNG
(((3aS,6aS)-5-(1H-benzo[d][1,2,3]tri-azole-5-carbon...)
Show SMILES FC(F)(F)COc1cc(nc2ccccc12)C(=O)N1C[C@@H]2CN(C[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446126
PNG
((E)-1-[(3aS,8aR)-2-((R)-4,5,6,7-tetrahydro-1H-benz...)
Show SMILES FC(F)(F)Oc1ccc(\C=C\C(=O)N2CC[C@@H]3CN(C[C@@H]3CC2)C(=O)[C@@H]2CCc3[nH]nnc3C2)cc1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM446141
PNG
(US10669268, Example 12B | US10669268, Example 4.08...)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2C[C@@H]3CCN(C[C@@H]3C2)C(=O)c2ccc3[nH]nnc3c2)c1
PDB

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n/an/a 5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
ATX inhibition was measured by a fluorescence quenching assay using a specifically labeled substrate analogue (MR121 substrate). To obtain this MR121...


US Patent US10669268 (2020)

More data for this
Ligand-Target Pair
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