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Patent code US10787459

Compile Data Set for Download or QSAR
Found 13 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))
BDBM464378
PNG
(US10787459, Example 1.00 | US10787459, Example 1.0...)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2C[C@@H]3CN(C[C@@]3(F)C2)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464378
PNG
(US10787459, Example 1.00 | US10787459, Example 1.0...)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2C[C@@H]3CN(C[C@@]3(F)C2)C(=O)c2ccc3[nH]nnc3c2)cc1
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
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464389
PNG
(US10787459, Example 3.00 | US10787459, Example 4.0...)
Show SMILES CO[C@]12CN(C[C@@H]1CN(C2)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)C(=O)N1CCc2[nH]nnc2C1
Show InChI InChI=1S/C28H37N7O5/c1-38-28-16-34(12-21(28)13-35(17-28)27(37)33-7-4-22-24(14-33)31-32-30-22)26(36)20-10-23(19-2-3-19)29-25(11-20)40-15-18-5-8-39-9-6-18/h10-11,18-19,21H,2-9,12-17H2,1H3,(H,30,31,32)/t21-,28+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464389
PNG
(US10787459, Example 3.00 | US10787459, Example 4.0...)
Show SMILES CO[C@]12CN(C[C@@H]1CN(C2)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)C(=O)N1CCc2[nH]nnc2C1
Show InChI InChI=1S/C28H37N7O5/c1-38-28-16-34(12-21(28)13-35(17-28)27(37)33-7-4-22-24(14-33)31-32-30-22)26(36)20-10-23(19-2-3-19)29-25(11-20)40-15-18-5-8-39-9-6-18/h10-11,18-19,21H,2-9,12-17H2,1H3,(H,30,31,32)/t21-,28+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464378
PNG
(US10787459, Example 1.00 | US10787459, Example 1.0...)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2C[C@@H]3CN(C[C@@]3(F)C2)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464378
PNG
(US10787459, Example 1.00 | US10787459, Example 1.0...)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2C[C@@H]3CN(C[C@@]3(F)C2)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464385
PNG
(US10787459, Example 2.00 | US10787459, Example 2.0...)
Show SMILES CO[C@@]12CN(C[C@H]1CN(C2)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)C(=O)N1CCc2[nH]nnc2C1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464378
PNG
(US10787459, Example 1.00 | US10787459, Example 1.0...)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2C[C@@H]3CN(C[C@@]3(F)C2)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464378
PNG
(US10787459, Example 1.00 | US10787459, Example 1.0...)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2C[C@@H]3CN(C[C@@]3(F)C2)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464385
PNG
(US10787459, Example 2.00 | US10787459, Example 2.0...)
Show SMILES CO[C@@]12CN(C[C@H]1CN(C2)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)C(=O)N1CCc2[nH]nnc2C1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464378
PNG
(US10787459, Example 1.00 | US10787459, Example 1.0...)
Show SMILES FC(F)(F)Oc1ccc(COC(=O)N2C[C@@H]3CN(C[C@@]3(F)C2)C(=O)c2ccc3[nH]nnc3c2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464385
PNG
(US10787459, Example 2.00 | US10787459, Example 2.0...)
Show SMILES CO[C@@]12CN(C[C@H]1CN(C2)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)C(=O)N1CCc2[nH]nnc2C1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM464385
PNG
(US10787459, Example 2.00 | US10787459, Example 2.0...)
Show SMILES CO[C@@]12CN(C[C@H]1CN(C2)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1)C(=O)N1CCc2[nH]nnc2C1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Assay working solutions were made as follows:Assay buffer (50 mM Tris-HCl, 140 mM NaCl, 5 mM KCl, 1 mM CaCl2, 1 mM MgCl2, 0.01% Triton-X-100, pH 8.0;...


US Patent US10787459 (2020)

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