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Patent code US10865195

Compile Data Set for Download or QSAR
Found 7 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))
BDBM475941
PNG
(US10865195, Compound 6)
Show SMILES C[C@@H]1CN(Cc2coc(CF)n2)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C23H25F4N7O2/c1-15-11-32(13-20-14-36-21(10-24)28-20)7-8-33(15)22(35)6-4-17-3-5-19(23(25,26)27)9-18(17)12-34-30-16(2)29-31-34/h3-6,9,14-15H,7-8,10-13H2,1-2H3/b6-4+/t15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US10865195 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM475938
PNG
(US10865195, Compound 4)
Show SMILES C[C@@H]1CN(Cc2ccc(OCCF)cn2)CCN1C(=O)CCc1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C26H31F4N7O2/c1-18-15-35(17-23-6-7-24(14-31-23)39-12-9-27)10-11-36(18)25(38)8-4-20-3-5-22(26(28,29)30)13-21(20)16-37-33-19(2)32-34-37/h3,5-7,13-14,18H,4,8-12,15-17H2,1-2H3/t18-/m1/s1
PDB

UniProtKB/SwissProt

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



Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US10865195 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM418800
PNG
(US10450298, Compound CHEM-US-00033 | US10450298, C...)
Show SMILES C[C@@H]1CN(Cc2ccc(OCCF)cn2)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C26H29F4N7O2/c1-18-15-35(17-23-6-7-24(14-31-23)39-12-9-27)10-11-36(18)25(38)8-4-20-3-5-22(26(28,29)30)13-21(20)16-37-33-19(2)32-34-37/h3-8,13-14,18H,9-12,15-17H2,1-2H3/b8-4+/t18-/m1/s1
PDB

UniProtKB/SwissProt

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



Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US10865195 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM418917
PNG
(US10450298, Compound CHEM-US-00035 | US10865195, C...)
Show SMILES C[C@@H]1CN(Cc2ccc(OCCF)cn2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C25H29ClFN7O2/c1-18-15-32(17-23-6-7-24(14-28-23)36-12-9-27)10-11-33(18)25(35)8-4-20-3-5-22(26)13-21(20)16-34-30-19(2)29-31-34/h3-8,13-14,18H,9-12,15-17H2,1-2H3/b8-4+/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US10865195 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM418916
PNG
(US10450298, Compound CHEM-US-00034 | US10865195, C...)
Show SMILES C[C@@H]1CN(Cc2ccc(OCCOCCF)cn2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1nnc(C)n1
Show InChI InChI=1S/C27H33ClFN7O3/c1-20-17-34(19-25-6-7-26(16-30-25)39-14-13-38-12-9-29)10-11-35(20)27(37)8-4-22-3-5-24(28)15-23(22)18-36-32-21(2)31-33-36/h3-8,15-16,20H,9-14,17-19H2,1-2H3/b8-4+/t20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US10865195 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM418919
PNG
(US10450298, Compound CHEM-US-00037 | US10865195, C...)
Show SMILES C[C@@H]1CN(Cc2ccc(OCCOCCF)cn2)CCN1C(=O)\C=C\c1ccc(cc1Cn1nnc(C)n1)C(F)(F)F
Show InChI InChI=1S/C28H33F4N7O3/c1-20-17-37(19-25-6-7-26(16-33-25)42-14-13-41-12-9-29)10-11-38(20)27(40)8-4-22-3-5-24(28(30,31)32)15-23(22)18-39-35-21(2)34-36-39/h3-8,15-16,20H,9-14,17-19H2,1-2H3/b8-4+/t20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US10865195 (2020)

More data for this
Ligand-Target Pair
Ataxin-1


(Homo sapiens (Human))
BDBM418921
PNG
(US10450298, Compound CHEM-US-00039 | US10865195, C...)
Show SMILES COc1cc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)ccn1
Show InChI InChI=1S/C23H26ClN7O2/c1-17-26-28-31(27-17)16-20-14-21(24)5-3-19(20)4-6-23(32)30-11-9-29(10-12-30)15-18-7-8-25-22(13-18)33-2/h3-8,13-14H,9-12,15-16H2,1-2H3/b6-4+
PDB

UniProtKB/SwissProt

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



Novartis AG

US Patent


Assay Description
ATX activity was determined by measurement of released choline in reactions containing ATX (10 nM), choline oxidase (0.1 U/ml), HRP (100 U/ml), ample...


US Patent US10865195 (2020)

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