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Patent code US10111875

Compile Data Set for Download or QSAR
Found 18 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM294511
PNG
(US10111875, Compound 206)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C27H27FN6O2/c1-33(18-9-11-34(14-18)26-20-8-10-29-25(20)30-15-31-26)22-7-6-17(12-21(22)28)27(36)32-24-19-5-3-2-4-16(19)13-23(24)35/h2-8,10,12,15,18,23-24,35H,9,11,13-14H2,1H3,(H,32,36)(H,29,30,31)/t18-,23-,24-/m1/s1
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n/an/a 0.5n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM294511
PNG
(US10111875, Compound 206)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C27H27FN6O2/c1-33(18-9-11-34(14-18)26-20-8-10-29-25(20)30-15-31-26)22-7-6-17(12-21(22)28)27(36)32-24-19-5-3-2-4-16(19)13-23(24)35/h2-8,10,12,15,18,23-24,35H,9,11,13-14H2,1H3,(H,32,36)(H,29,30,31)/t18-,23-,24-/m1/s1
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n/an/a 2n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM228640
PNG
(US10111875, Compound 234 | US9346810, 234)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N7O2S/c1-22(14-3-2-12(8-19-14)26(17,24)25)11-5-7-23(9-11)16-13-4-6-18-15(13)20-10-21-16/h2-4,6,8,10-11H,5,7,9H2,1H3,(H2,17,24,25)(H,18,20,21)/t11-/m1/s1
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n/an/a 5.10n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM228728
PNG
(US10111875, Compound 142 | US9346810, 94)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncc(Br)cn1
Show InChI InChI=1S/C15H16BrN7/c1-22(15-18-6-10(16)7-19-15)11-3-5-23(8-11)14-12-2-4-17-13(12)20-9-21-14/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,17,20,21)/t11-/m1/s1
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n/an/a 9.40n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM228644
PNG
(US10111875, Compound 105 | US9346810, 105)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C18H17FN6/c1-24(13-3-2-12(9-20)16(19)8-13)14-5-7-25(10-14)18-15-4-6-21-17(15)22-11-23-18/h2-4,6,8,11,14H,5,7,10H2,1H3,(H,21,22,23)/t14-/m1/s1
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n/an/a 14n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM294510
PNG
(US10111875, Compound 199)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)Nc1cccs1
Show InChI InChI=1S/C21H21N7OS/c1-27(17-5-4-14(11-23-17)21(29)26-18-3-2-10-30-18)15-7-9-28(12-15)20-16-6-8-22-19(16)24-13-25-20/h2-6,8,10-11,13,15H,7,9,12H2,1H3,(H,26,29)(H,22,24,25)/t15-/m1/s1
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n/an/a 14n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM228640
PNG
(US10111875, Compound 234 | US9346810, 234)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N7O2S/c1-22(14-3-2-12(8-19-14)26(17,24)25)11-5-7-23(9-11)16-13-4-6-18-15(13)20-10-21-16/h2-4,6,8,10-11H,5,7,9H2,1H3,(H2,17,24,25)(H,18,20,21)/t11-/m1/s1
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n/an/a 41.1n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM294511
PNG
(US10111875, Compound 206)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)N[C@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C27H27FN6O2/c1-33(18-9-11-34(14-18)26-20-8-10-29-25(20)30-15-31-26)22-7-6-17(12-21(22)28)27(36)32-24-19-5-3-2-4-16(19)13-23(24)35/h2-8,10,12,15,18,23-24,35H,9,11,13-14H2,1H3,(H,32,36)(H,29,30,31)/t18-,23-,24-/m1/s1
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n/an/a 47n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM228644
PNG
(US10111875, Compound 105 | US9346810, 105)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C18H17FN6/c1-24(13-3-2-12(9-20)16(19)8-13)14-5-7-25(10-14)18-15-4-6-21-17(15)22-11-23-18/h2-4,6,8,11,14H,5,7,10H2,1H3,(H,21,22,23)/t14-/m1/s1
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n/an/a 48.7n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM228728
PNG
(US10111875, Compound 142 | US9346810, 94)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncc(Br)cn1
Show InChI InChI=1S/C15H16BrN7/c1-22(15-18-6-10(16)7-19-15)11-3-5-23(8-11)14-12-2-4-17-13(12)20-9-21-14/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,17,20,21)/t11-/m1/s1
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n/an/a 55n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM294510
PNG
(US10111875, Compound 199)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)Nc1cccs1
Show InChI InChI=1S/C21H21N7OS/c1-27(17-5-4-14(11-23-17)21(29)26-18-3-2-10-30-18)15-7-9-28(12-15)20-16-6-8-22-19(16)24-13-25-20/h2-6,8,10-11,13,15H,7,9,12H2,1H3,(H,26,29)(H,22,24,25)/t15-/m1/s1
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n/an/a 75n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM228640
PNG
(US10111875, Compound 234 | US9346810, 234)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(N)(=O)=O
Show InChI InChI=1S/C16H19N7O2S/c1-22(14-3-2-12(8-19-14)26(17,24)25)11-5-7-23(9-11)16-13-4-6-18-15(13)20-10-21-16/h2-4,6,8,10-11H,5,7,9H2,1H3,(H2,17,24,25)(H,18,20,21)/t11-/m1/s1
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n/an/a 86.3n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM228645
PNG
(US10111875, Compound 47 | US9346810, 47)
Show SMILES CNS(=O)(=O)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H18N6O2S/c1-13-21(19,20)17(2)9-4-6-18(7-9)12-10-3-5-14-11(10)15-8-16-12/h3,5,8-9,13H,4,6-7H2,1-2H3,(H,14,15,16)/t9-/m1/s1
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n/an/a 98n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM228645
PNG
(US10111875, Compound 47 | US9346810, 47)
Show SMILES CNS(=O)(=O)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H18N6O2S/c1-13-21(19,20)17(2)9-4-6-18(7-9)12-10-3-5-14-11(10)15-8-16-12/h3,5,8-9,13H,4,6-7H2,1-2H3,(H,14,15,16)/t9-/m1/s1
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n/an/a 119n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM228645
PNG
(US10111875, Compound 47 | US9346810, 47)
Show SMILES CNS(=O)(=O)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H18N6O2S/c1-13-21(19,20)17(2)9-4-6-18(7-9)12-10-3-5-14-11(10)15-8-16-12/h3,5,8-9,13H,4,6-7H2,1-2H3,(H,14,15,16)/t9-/m1/s1
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n/an/a 157n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM228644
PNG
(US10111875, Compound 105 | US9346810, 105)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C18H17FN6/c1-24(13-3-2-12(9-20)16(19)8-13)14-5-7-25(10-14)18-15-4-6-21-17(15)22-11-23-18/h2-4,6,8,11,14H,5,7,10H2,1H3,(H,21,22,23)/t14-/m1/s1
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n/an/a 359n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM228728
PNG
(US10111875, Compound 142 | US9346810, 94)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncc(Br)cn1
Show InChI InChI=1S/C15H16BrN7/c1-22(15-18-6-10(16)7-19-15)11-3-5-23(8-11)14-12-2-4-17-13(12)20-9-21-14/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,17,20,21)/t11-/m1/s1
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n/an/a 497n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM294510
PNG
(US10111875, Compound 199)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)Nc1cccs1
Show InChI InChI=1S/C21H21N7OS/c1-27(17-5-4-14(11-23-17)21(29)26-18-3-2-10-30-18)15-7-9-28(12-15)20-16-6-8-22-19(16)24-13-25-20/h2-6,8,10-11,13,15H,7,9,12H2,1H3,(H,26,29)(H,22,24,25)/t15-/m1/s1
PDB

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n/an/a 522n/an/an/an/an/a25



HUTCHINSON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z&...


US Patent US10111875 (2018)

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