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Patent code US10849881

Compile Data Set for Download or QSAR
Found 117 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))
BDBM475791
PNG
((1-cyclopropylmethoxy-isoquinolin-3-yl)- [(3aR,3bS...)
Show SMILES O=C([C@@H]1CCc2[nH]nnc2C1)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1cc2ccccc2c(OCC2CC2)n1
PDB

UniProtKB/SwissProt

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UniChem
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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475790
PNG
(US10849881, Example 1.063 | [6-(4-chloro-phenyl)-p...)
Show SMILES Clc1ccc(cc1)-c1ccc(cn1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

UniProtKB/SwissProt

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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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475786
PNG
((4-isopropoxy-naphthalen-2-yl)- [(3aR,3bS,6aR,6bS)...)
Show SMILES CC(C)Oc1cc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 1.30n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475807
PNG
((1H-benzotriazol-5-yl)- [(3aS,3bR,6aS,6bR)-5-(4-et...)
Show SMILES CCOc1cc(nc2ccc(cc12)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 2.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475812
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bS,6aR,6bR)-5-[4-et...)
Show SMILES CCOc1cc(cc2n(CC(F)(F)F)ccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a 2.70n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475808
PNG
(US10849881, Example 1.081 | US10849881, Example 1....)
Show SMILES CCOc1c(ccc2n(CC)ccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475779
PNG
(US10849881, Example 1.052 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES CC(C)Oc1cc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 3.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475798
PNG
(US10849881, Example 1.071 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1cc(OCC2CC2)c2ccccc2n1)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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n/an/a 3.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475805
PNG
(US10849881, Example 1.078 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES CC(C)Oc1cc(cc2CCCCc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 3.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475800
PNG
(US10849881, Example 1.073 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES CCOc1nc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
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n/an/a 3.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475797
PNG
(US10849881, Example 1.070 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES CC(C)Oc1cc(nc2cc(ccc12)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475776
PNG
(US10849881, Example 1.049 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES COCCOc1cc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475840
PNG
((3aR,3bS,6aR,6bS)-5-(1H-Benzotriazole-5-carbonyl)-...)
Show SMILES Clc1cc(Cl)cc(COC(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CN(C[C@H]32)C(=O)c2ccc3[nH]nnc3c2)c1
PDB

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n/an/a 4.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475787
PNG
(US10849881, Example 1.060 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES FC(F)(F)COc1nc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 4.70n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475801
PNG
(US10849881, Example 1.074 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES CCn1ccc2c(OC(C)C)cc(cc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475793
PNG
(US10849881, Example 1.066 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES CCOc1cc(nc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475811
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bR,6aS,6bR)-5-[4-(2...)
Show SMILES FC(F)(F)COc1cc(nc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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PC cid
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UniChem
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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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475794
PNG
(US10849881, Example 1.067 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES CC(C)Oc1cc(nc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475785
PNG
(US10849881, Example 1.058 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1cc2ccccc2c(OCC2CC2)n1)c1ccc2[nH]nnc2c1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.30n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475835
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bS,6aR,6bR)-5-[5-fu...)
Show SMILES FC(F)(F)COc1ncc(cc1-c1ccco1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C27H25F3N6O4/c28-27(29,30)13-40-24-16(23-2-1-5-39-23)6-15(8-31-24)26(38)36-11-19-17-9-35(10-18(17)20(19)12-36)25(37)14-3-4-21-22(7-14)33-34-32-21/h1-8,17-20,32-34H,9-13H2/t17-,18+,19+,20-
PDB

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n/an/a 6n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475799
PNG
(US10849881, Example 1.072 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 6n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475745
PNG
(US10849881, Example 1.020 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES FC(F)(F)Oc1ccc2cc([nH]c2c1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 6n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475792
PNG
(US10849881, Example 1.065 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES CC(C)Oc1cc(cc2n(C)ccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 6.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475778
PNG
(US10849881, Example 1.051 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES CCOc1cc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a 7n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475808
PNG
(US10849881, Example 1.081 | US10849881, Example 1....)
Show SMILES CCOc1c(ccc2n(CC)ccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 7.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475804
PNG
((7-chloro-4-ethoxy-quinolin-2-yl)- [(3aR,3bS,6aR,6...)
Show SMILES CCOc1cc(nc2cc(Cl)ccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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n/an/a 7.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475784
PNG
(US10849881, Example 1.057 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES COCCOc1nc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.70n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475732
PNG
(US10849881, Example 1.011 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES FC(F)(F)Oc1ccc2cc([nH]c2c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475742
PNG
(US10849881, Example 1.017 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475730
PNG
(1-[(3aR,3bS,6aR,6bS)-5-(1H- benzotriazole-5-carbon...)
Show SMILES CC(C)c1ccccc1OCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 8n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475727
PNG
((E)-1-[(3aS,3bS,6aR,6bR)-5-((R)-4,5,6,7- tetrahydr...)
Show SMILES FC(F)(F)Oc1ccc(\C=C\C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CN(C[C@H]32)C(=O)[C@@H]2CCc3[nH]nnc3C2)cc1
PDB

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n/an/a 8n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475796
PNG
(US10849881, Example 1.069 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES COCCOc1cc(nc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 8n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475832
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bS,6aR,6bR)-5-[6-(2...)
Show SMILES FC(F)(F)COc1ncc(cc1C(F)(F)F)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C24H22F6N6O3/c25-23(26,27)10-39-20-17(24(28,29)30)3-12(5-31-20)22(38)36-8-15-13-6-35(7-14(13)16(15)9-36)21(37)11-1-2-18-19(4-11)33-34-32-18/h1-5,13-16,32-34H,6-10H2/t13-,14+,15+,16-
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n/an/a 8n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475777
PNG
(US10849881, Example 1.050 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2ccc(cc2c1)-c1ccccc1)c1ccc2[nH]nnc2c1
PDB

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n/an/a 8n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM474571
PNG
((E)-1-[(3aS,3bR,6aS,6bR)-5-(1H- benzotriazole-5-ca...)
Show SMILES FC(F)(F)Oc1ccc(\C=C\C(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CN(C[C@H]32)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

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n/an/a 8.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475751
PNG
(US10849881, Example 1.025 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1cc(OCC2CC2)c2ccccc2c1)c1ccc2[nH]nnc2c1
PDB

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n/an/a 8.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475789
PNG
(4-[(3aS,3bS,6aR,6bR)-5-(4-isopropoxy- naphthalene-...)
Show SMILES CC(C)Oc1cc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C29H31N3O5S/c1-17(2)37-27-12-20(11-19-5-3-4-6-22(19)27)29(34)32-15-25-23-13-31(14-24(23)26(25)16-32)28(33)18-7-9-21(10-8-18)38(30,35)36/h3-12,17,23-26H,13-16H2,1-2H3,(H2,30,35,36)/t23-,24+,25+,26-
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n/an/a 9n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475827
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bS,6aR,6bR)-5-[5-br...)
Show SMILES FC(F)(F)COc1ncc(cc1Br)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C23H22BrF3N6O3/c24-17-3-12(5-28-20(17)36-10-23(25,26)27)22(35)33-8-15-13-6-32(7-14(13)16(15)9-33)21(34)11-1-2-18-19(4-11)30-31-29-18/h1-5,13-16,29-31H,6-10H2/t13-,14+,15+,16-
PDB

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n/an/a 10n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475831
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bS,6aR,6bR)-5-[5-cy...)
Show SMILES FC(F)(F)COc1ncc(cc1C1CC1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C26H27F3N6O3/c27-26(28,29)12-38-23-16(13-1-2-13)5-15(7-30-23)25(37)35-10-19-17-8-34(9-18(17)20(19)11-35)24(36)14-3-4-21-22(6-14)32-33-31-21/h3-7,13,17-20,31-33H,1-2,8-12H2/t17-,18+,19+,20-
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n/an/a 10n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM474569
PNG
(1-[(3aS,3bR,6aS,6bR)-5-(1H- benzotriazole-5-carbon...)
Show SMILES FC(F)(F)Oc1ccc(CCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CN(C[C@H]32)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

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n/an/a 11n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475772
PNG
(US10849881, Example 1.045 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES Clc1ccc(cc1)-c1ccc(cn1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 11n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475740
PNG
(US10849881, Example 1.015 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2cc(ccc2c1)-c1ccccc1)c1ccc2[nH]nnc2c1
PDB

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n/an/a 11n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475744
PNG
(US10849881, Example 1.019 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES FC(F)(F)Oc1ccc2[nH]c(cc2c1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

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n/an/a 11.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475752
PNG
(US10849881, Example 1.026 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES COc1cc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 11.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475823
PNG
(US10849881, Example 1.096 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES CCOc1cc(nc2ccc(Cl)cc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C27H27ClN6O3/c1-2-37-25-9-24(29-21-6-4-15(28)8-16(21)25)27(36)34-12-19-17-10-33(11-18(17)20(19)13-34)26(35)14-3-5-22-23(7-14)31-32-30-22/h3-9,17-20,30-32H,2,10-13H2,1H3/t17-,18+,19+,20-
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n/an/a 12n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475803
PNG
(US10849881, Example 1.076 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES CCOc1cc(nc2cc(Cl)ccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 12.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475771
PNG
((4-methoxy-naphthalen-2-yl)- [(3aR,3bS,6aR,6bS)-5-...)
Show SMILES COc1cc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

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n/an/a 13n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475758
PNG
(US10849881, Example 1.032 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES Cn1c(cc2cc(OC(F)(F)F)ccc12)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 13n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475839
PNG
((3aR,3bS,6aR,6bS)-5-(1H-Benzotriazole-5-carbonyl)-...)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CN(C[C@H]32)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

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n/an/a 14n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475780
PNG
(US10849881, Example 1.053 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1cc(OCc2ccccc2)c2cc[nH]c2c1)c1ccc2[nH]nnc2c1
PDB

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n/an/a 14n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475795
PNG
(US10849881, Example 1.068 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES Clc1ccc2[nH]c3cc(ccc3c2c1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 14.3n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475814
PNG
((1H-benzotriazol-5-yl)- [(3aS,3bR,6aS,6bR)-5-(5-cy...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccc2[nH]nnc2c1
PDB

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n/an/a 15.3n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475731
PNG
(US10849881, Example 1.010 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES FC(F)(F)Oc1ccc2[nH]c(cc2c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 16n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475743
PNG
((4'-chloro-biphenyl-4-yl)- [(3aR,3bS,6aR,6bS)-5-((...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

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n/an/a 16n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475813
PNG
((1H-benzotriazol-5-yl)- [(3aS,3bR,6aS,6bR)-5-(5-ch...)
Show SMILES Clc1cnc(cc1OCC1CC1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 17n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM474572
PNG
(US10849881, Example 1.004 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES Brc1ccc2cc(ccc2c1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 17n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475820
PNG
((1H-benzotriazol-5-yl)- [(3aS,3bR,6aS,6bR)-5-(6- c...)
Show SMILES FC(F)(F)c1ccc(nc1OCC1CC1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 17n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475741
PNG
((6-bromo-naphthalen-2-yl)- [(3aR,3bS,6aR,6bS)-5-((...)
Show SMILES Brc1ccc2cc(ccc2c1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)[C@@H]1CCc2[nH]nnc2C1
PDB

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n/an/a 17n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475818
PNG
(US10849881, Example 1.091 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES CCOc1cc(nc2ccc(cc12)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2n1
PDB

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n/an/a 17n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475819
PNG
(US10849881, Example 1.092 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES CCOc1nc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2n1
PDB

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n/an/a 18n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475817
PNG
((1H-benzotriazol-5-yl)- [(3aS,3bR,6aS,6bR)-5-(4-et...)
Show SMILES CCOc1cc(nc2cc(OC)ccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 19n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475802
PNG
(6-[(3aR,3bS,6aR,6bS)-5-(1H- benzotriazole-5-carbon...)
Show SMILES Clc1ccc(cc1)-c1ccc([nH]c1=O)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 20n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475816
PNG
((1H-benzotriazol-5-yl)- [(3aS,3bS,6aR,6bR)-5-(4'-c...)
Show SMILES Clc1ccc(cc1)-c1cccc(c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 20n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475782
PNG
(US10849881, Example 1.055 | [(3aS,3bR,6aS,6bR)-5-(...)
Show SMILES CC1(C)CC(Cc2ccccc12)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 22n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475824
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bR,6aS,6bR)-5-[6-(2...)
Show SMILES FC(F)(F)COc1nc(ccc1C(F)(F)F)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C24H22F6N6O3/c25-23(26,27)10-39-20-16(24(28,29)30)2-4-18(31-20)22(38)36-8-14-12-6-35(7-13(12)15(14)9-36)21(37)11-1-3-17-19(5-11)33-34-32-17/h1-5,12-15,32-34H,6-10H2/t12-,13+,14+,15-
PDB

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n/an/a 25n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475830
PNG
((1H-benzotriazol-yl)- {(3aS,3bS,6aR,6bR)-5-[5-brom...)
Show SMILES Cc1nc(OCC(F)(F)F)c(Br)cc1C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C24H24BrF3N6O3/c1-11-13(5-18(25)21(29-11)37-10-24(26,27)28)23(36)34-8-16-14-6-33(7-15(14)17(16)9-34)22(35)12-2-3-19-20(4-12)31-32-30-19/h2-5,14-17,30-32H,6-10H2,1H3/t14-,15+,16+,17-
PDB

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n/an/a 27n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475773
PNG
(US10849881, Example 1.046 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES COc1nc(cc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 28n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475783
PNG
(US10849881, Example 1.056 | [(3aS,3bR,6aS,6bR)-5-(...)
Show SMILES COCCCN1CC(Cc2ccccc12)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 29n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475806
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bR,6aS,6bR)-5-[4-(2...)
Show SMILES COCCOc1cc(nc2cc(ccc12)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 31.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475822
PNG
((1H-benzotriazol-5-yl)-{(3aS,3bR,6a[6- cyclopropyl...)
Show SMILES FC(F)(F)COc1cc(nnc1C1CC1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C25H26F3N7O3/c26-25(27,28)11-38-21-6-20(29-32-22(21)12-1-2-12)24(37)35-9-16-14-7-34(8-15(14)17(16)10-35)23(36)13-3-4-18-19(5-13)31-33-30-18/h3-6,12,14-17,30-31,33H,1-2,7-11H2/t14-,15+,16+,17-
PDB

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n/an/a 32n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475837
PNG
(US10849881, Example 1.110 | [(3aS,3bR,6aS,6bR)-5-(...)
Show SMILES CCOc1cc(nc2ccccc12)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2NNNc2c1F
Show InChI InChI=1S/C27H27FN6O3/c1-2-37-23-9-22(29-20-6-4-3-5-14(20)23)27(36)34-12-18-16-10-33(11-17(16)19(18)13-34)26(35)15-7-8-21-25(24(15)28)31-32-30-21/h3-9,16-19,30-32H,2,10-13H2,1H3/t16-,17+,18+,19-
PDB

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n/an/a 32.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM474568
PNG
(US10849881, Example 1 | [(3aS,3bS,6aR,6bR)-5-(1H-B...)
Show SMILES Clc1ccc2cc(ccc2c1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 34n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475729
PNG
(1-[(3aR,3bS,6aR,6bS)-5-(1H- benzotriazole-5-carbon...)
Show SMILES FC(F)(F)Oc1ccc(OCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]2CN(C[C@H]32)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

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n/an/a 36n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475788
PNG
(US10849881, Example 1.061 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES CC(C)Oc1cc(cc2[nH]ccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 40.5n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475815
PNG
((3,4-dimethyl-phenyl)- [(3aS,3bR,6aS,6bR)-5-(4-eth...)
Show SMILES CCOc1cc(nc2CCCCc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 41.3n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475739
PNG
(US10849881, Example 1.014 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES Cc1ccc2ccc(cc2c1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 45n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475738
PNG
(US10849881, Example 1.013 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES Cc1ccc2cc(ccc2c1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 54n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475781
PNG
(US10849881, Example 1.054 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1)c1ccc2CCCCc2c1
PDB

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n/an/a 59.2n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475728
PNG
(6-[(3aS,3bS,6aR,6bR)-5-(1H- benzotriazole-5-carbon...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2cc(ccc2c1)C#N)c1ccc2[nH]nnc2c1
PDB

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n/an/a 62n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM474570
PNG
(US10849881, Example 1.002 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 64n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475843
PNG
(US10849881, Example 4 | [(3aR,3bS,6aR,6bS)-5-(1H-B...)
Show SMILES FC(F)(F)c1ccc2CN(CCc2c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 70n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475755
PNG
(US10849881, Example 1.029 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES COc1cc(nc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 70n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475821
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bR,6aS,6bR)-5-[5-cy...)
Show SMILES FC(F)(F)COc1cc(ncc1C1CC1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C26H27F3N6O3/c27-26(28,29)12-38-23-6-22(30-7-15(23)13-1-2-13)25(37)35-10-18-16-8-34(9-17(16)19(18)11-35)24(36)14-3-4-20-21(5-14)32-33-31-20/h3-7,13,16-19,31-33H,1-2,8-12H2/t16-,17+,18+,19-
PDB

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n/an/a 77n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475733
PNG
(US10849881, Example 1.012 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2ccccc2c1)c1ccc2[nH]nnc2c1
PDB

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n/an/a 86n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475760
PNG
(US10849881, Example 1.033 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES Clc1ccc2cc([nH]c2c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
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n/an/a 104n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475756
PNG
(US10849881, Example 1.030 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES Cc1oc(nc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1)-c1ccc(Cl)cc1
PDB

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n/an/a 104n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475726
PNG
(US10849881, Example 1.005 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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n/an/a 120n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475763
PNG
(US10849881, Example 1.036 | {2-[(3aR,3bS,6aR,6bS)-...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1)c1cc2ccccc2n1CC#N
PDB

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n/an/a 130n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475834
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bR,6aS,6bR)-5-[4-(4...)
Show SMILES FC(F)(F)COc1cnc(cc1-c1ccc(Cl)cc1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C29H26ClF3N6O3/c30-17-4-1-15(2-5-17)18-8-25(34-9-26(18)42-14-29(31,32)33)28(41)39-12-21-19-10-38(11-20(19)22(21)13-39)27(40)16-3-6-23-24(7-16)36-37-35-23/h1-9,19-22,35-37H,10-14H2/t19-,20+,21+,22-
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n/an/a 141n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475810
PNG
(5-[(3aS,3bR,6aS,6bR)-5-(4-ethoxy- quinoline-2-carb...)
Show SMILES CCOc1cc(nc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc(nc1)S(N)(=O)=O
Show InChI InChI=1S/C26H27N5O5S/c1-2-36-23-9-22(29-21-6-4-3-5-16(21)23)26(33)31-13-19-17-11-30(12-18(17)20(19)14-31)25(32)15-7-8-24(28-10-15)37(27,34)35/h3-10,17-20H,2,11-14H2,1H3,(H2,27,34,35)/t17-,18+,19+,20-
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n/an/a 154n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475747
PNG
(US10849881, Example 1.022 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES COc1c(ccc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 155n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475764
PNG
(US10849881, Example 1.037 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES CC(C)Cn1c(cc2ccccc12)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 159n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475833
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bS,6aR,6bR)-5-[5-(t...)
Show SMILES FC(F)(F)COc1ncc(cc1C1CCOCC1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C28H31F3N6O4/c29-28(30,31)14-41-25-18(15-3-5-40-6-4-15)7-17(9-32-25)27(39)37-12-21-19-10-36(11-20(19)22(21)13-37)26(38)16-1-2-23-24(8-16)34-35-33-23/h1-2,7-9,15,19-22,33-35H,3-6,10-14H2/t19-,20+,21+,22-
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n/an/a 169n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475841
PNG
((1H-Benzotriazol-5-yl)-[(3aS,3bR,6aS,6bR)-5-(4R...)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 173n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475774
PNG
(US10849881, Example 1.047 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES Cc1cc(nc2ccccc12)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 205n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475775
PNG
(US10849881, Example 1.048 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 208n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475757
PNG
(US10849881, Example 1.031 | [(3aS,3bR,6aS,6bR)-5-(...)
Show SMILES O=C(C1CCc2ccccc2C1)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 224n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475842
PNG
((1H-Benzotriazol-5-yl)-[(3aS,3bR,6aS,6bR)-5-(6-chl...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 232n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475762
PNG
(US10849881, Example 1.035 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES Cc1ccc2cc([nH]c2c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 243n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475746
PNG
(US10849881, Example 1.021 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES COc1cc2ccccc2cc1C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 265n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475826
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bS,6aR,6bR)-5-[6-(2...)
Show SMILES FC(F)(F)COc1ccc(cn1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C23H23F3N6O3/c24-23(25,26)11-35-20-4-2-13(6-27-20)22(34)32-9-16-14-7-31(8-15(14)17(16)10-32)21(33)12-1-3-18-19(5-12)29-30-28-18/h1-6,14-17,28-30H,7-11H2/t14-,15+,16+,17-
PDB

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n/an/a 277n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475836
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bS,6aR,6bR)-5-[5-ch...)
Show SMILES FC(F)(F)Cn1cc(cc(Cl)c1=O)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C23H22ClF3N6O3/c24-17-3-12(5-33(22(17)36)10-23(25,26)27)21(35)32-8-15-13-6-31(7-14(13)16(15)9-32)20(34)11-1-2-18-19(4-11)29-30-28-18/h1-5,13-16,28-30H,6-10H2/t13-,14+,15+,16-
PDB

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n/an/a 301n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475838
PNG
(US10849881, Example 1.111 | {(3aS,3bS,6aR,6bR)-5-[...)
Show SMILES CS(=O)(=O)c1cc(cnc1OCC(F)(F)F)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C24H25F3N6O5S/c1-39(36,37)20-5-13(6-28-21(20)38-11-24(25,26)27)23(35)33-9-16-14-7-32(8-15(14)17(16)10-33)22(34)12-2-3-18-19(4-12)30-31-29-18/h2-6,14-17,29-31H,7-11H2,1H3/t14-,15+,16+,17-
PDB

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n/an/a 330n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475749
PNG
(US10849881, Example 1.024 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES Cn1c(cc2ccccc12)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 377n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475761
PNG
(US10849881, Example 1.034 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES Cn1c(cc2ccc(Cl)cc12)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 489n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475768
PNG
(3-[(3aS,3bR,6aS,6bR)-5-(1H- benzotriazole-5-carbon...)
Show SMILES O=C(C1CC(=O)c2ccccc2C1)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 538n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475769
PNG
(US10849881, Example 1.042 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES O=C(C1CCc2ccccc2O1)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

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n/an/a 632n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475765
PNG
(US10849881, Example 1.038 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2ccccc2n1)c1ccc2[nH]nnc2c1
PDB

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n/an/a 687n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475753
PNG
(2-[(3aR,3bS,6aR,6bS)-5-(1H- benzotriazole-5-carbon...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1)c1cc2cc(ccc2[nH]1)C#N
PDB

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n/an/a 828n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475825
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bR,6aS,6bR)-5-[6-(2...)
Show SMILES FC(F)(F)COc1cccc(n1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C23H23F3N6O3/c24-23(25,26)11-35-20-3-1-2-18(27-20)22(34)32-9-15-13-7-31(8-14(13)16(15)10-32)21(33)12-4-5-17-19(6-12)29-30-28-17/h1-6,13-16,28-30H,7-11H2/t13-,14+,15+,16-
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 859n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475829
PNG
(US10849881, Example 1.102 | [(3aS,3bR,6aS,6bR)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc(OCC2CC2)nn1)c1ccc2NNNc2c1
Show InChI InChI=1S/C24H27N7O3/c32-23(14-3-4-19-21(7-14)27-29-26-19)30-8-15-16(9-30)18-11-31(10-17(15)18)24(33)20-5-6-22(28-25-20)34-12-13-1-2-13/h3-7,13,15-18,26-27,29H,1-2,8-12H2/t15-,16+,17+,18-
PDB

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US Patent
n/an/a 992n/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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475770
PNG
(US10849881, Example 1.043 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1)c1ccc2[nH]ccc2c1
PDB

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US Patent
n/an/a 1.46E+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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475754
PNG
(US10849881, Example 1.028 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES COc1cccc(c1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 2.83E+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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475766
PNG
(US10849881, Example 1.039 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1cc2ccccc2cn1)c1ccc2[nH]nnc2c1
PDB

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US Patent
n/an/a 3.33E+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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475828
PNG
((1H-benzotriazol-5-yl)- {(3aS,3bR,6aS,6bR)-5-[5-(2...)
Show SMILES FC(F)(F)COc1ccc(nc1)C(=O)N1C[C@H]2[C@@H]3CN(C[C@@H]3[C@H]2C1)C(=O)c1ccc2NNNc2c1
Show InChI InChI=1S/C23H23F3N6O3/c24-23(25,26)11-35-13-2-4-19(27-6-13)22(34)32-9-16-14-7-31(8-15(14)17(16)10-32)21(33)12-1-3-18-20(5-12)29-30-28-18/h1-6,14-17,28-30H,7-11H2/t14-,15+,16+,17-
PDB

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n/an/a 4.43E+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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475767
PNG
(US10849881, Example 1.040 | [(3aS,3bS,6aR,6bR)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2cc[nH]c2c1)c1ccc2[nH]nnc2c1
PDB

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n/an/a 8.67E+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 US10849881 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475748
PNG
(US10849881, Example 1.023 | [(3aR,3bS,6aR,6bS)-5-(...)
Show SMILES O=C(N1C[C@H]2[C@@H](C1)[C@@H]1CN(C[C@H]21)C(=O)c1ccc2[nH]nnc2c1)c1cc2ccccc2[nH]1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 2.37E+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 US10849881 (2020)

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