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Patent code US11021475

Compile Data Set for Download or QSAR
Found 37 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
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500288
PNG
(US11021475, Example 52 | US11021475, Example 67)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)
PDB

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UniChem
US Patent
n/an/an/an/a 5.13n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500315
PNG
(US11021475, Example 181)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nc(C)n(C)n2)c1OC
Show InChI InChI=1S/C21H24N8O3/c1-11-23-19(28-29(11)3)13-6-5-7-14(18(13)32-4)24-15-10-16(25-20(30)12-8-9-12)26-27-17(15)21(31)22-2/h5-7,10,12H,8-9H2,1-4H3,(H,22,31)(H2,24,25,26,30)
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US Patent
n/an/an/an/a 6.97n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500304
PNG
(US11021475, Example 125)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1OC
Show InChI InChI=1S/C17H19N5O3/c1-18-17(24)15-12(19-11-5-3-4-6-13(11)25-2)9-14(21-22-15)20-16(23)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,18,24)(H2,19,20,21,23)
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500286
PNG
(US11021475, Example 16)
Show SMILES CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)
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US Patent
n/an/an/an/a 6.57n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500293
PNG
(US11021475, Example 73)
Show SMILES CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nc(C)cs2)c1OC
Show InChI InChI=1S/C22H21N7O2S/c1-13-12-32-22(25-13)14-7-6-8-15(20(14)31-3)26-16-11-18(27-17-9-4-5-10-24-17)28-29-19(16)21(30)23-2/h4-12H,1-3H3,(H,23,30)(H2,24,26,27,28)
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US Patent
n/an/an/an/a 5.21n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500306
PNG
(US11021475, Example 140)
Show SMILES CNC(=O)c1nnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C)c1OC(F)F
Show InChI InChI=1S/C20H19F3N6O2/c1-10-5-4-6-13(18(10)31-20(22)23)26-14-8-16(28-29-17(14)19(30)24-3)27-15-7-11(2)12(21)9-25-15/h4-9,20H,1-3H3,(H,24,30)(H2,25,26,27,28)
PDB

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US Patent
n/an/an/an/a 70n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500309
PNG
(US11021475, Example 147)
Show SMILES CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nnn(C)n2)c1OC
Show InChI InChI=1S/C20H20N10O2/c1-21-20(31)17-14(11-16(25-26-17)24-15-9-4-5-10-22-15)23-13-8-6-7-12(18(13)32-3)19-27-29-30(2)28-19/h4-11H,1-3H3,(H,21,31)(H2,22,23,24,25)
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US Patent
n/an/an/an/a 0.877n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500312
PNG
(US11021475, Example 155)
Show SMILES CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nnc(C)s2)c1OC
Show InChI InChI=1S/C21H20N8O2S/c1-12-26-29-21(32-12)13-7-6-8-14(19(13)31-3)24-15-11-17(25-16-9-4-5-10-23-16)27-28-18(15)20(30)22-2/h4-11H,1-3H3,(H,22,30)(H2,23,24,25,27)
PDB

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US Patent
n/an/an/an/a 7.13n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500314
PNG
(US11021475, Example 176)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(CC(F)F)n2)c1OC
Show InChI InChI=1S/C21H22F2N8O3/c1-24-21(33)17-14(8-16(28-29-17)27-20(32)11-6-7-11)26-13-5-3-4-12(18(13)34-2)19-25-10-31(30-19)9-15(22)23/h3-5,8,10-11,15H,6-7,9H2,1-2H3,(H,24,33)(H2,26,27,28,32)
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n/an/an/an/a 6.35n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500285
PNG
(US11021475, Example 10)
Show SMILES CNC(=O)c1nnc(Nc2cnc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C17H16FN7O3S/c1-19-17(26)16-11(22-10-5-3-4-6-12(10)29(2,27)28)7-14(24-25-16)23-15-9-20-13(18)8-21-15/h3-9H,1-2H3,(H,19,26)(H2,21,22,23,24)
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n/an/an/an/a 100n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500287
PNG
(US11021475, Example 51)
Show SMILES CNC(=O)c1nnc(Nc2cc(COC)ccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C20H22N6O4S/c1-21-20(27)19-15(23-14-6-4-5-7-16(14)31(3,28)29)11-18(25-26-19)24-17-10-13(12-30-2)8-9-22-17/h4-11H,12H2,1-3H3,(H,21,27)(H2,22,23,24,25)
PDB

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US Patent
n/an/an/an/a 7.19n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500302
PNG
(US11021475, Example 112)
Show SMILES CNC(=O)c1nnc(Nc2cnccn2)cc1Nc1cccc(-c2ncccn2)c1OC
Show InChI InChI=1S/C21H19N9O2/c1-22-21(31)18-15(11-16(29-30-18)28-17-12-23-9-10-24-17)27-14-6-3-5-13(19(14)32-2)20-25-7-4-8-26-20/h3-12H,1-2H3,(H,22,31)(H2,24,27,28,29)
PDB

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US Patent
n/an/an/an/a 1.94n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500308
PNG
(US11021475, Example 146)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nnn(C)n2)c1OC
Show InChI InChI=1S/C19H21N9O3/c1-20-19(30)15-13(9-14(23-24-15)22-18(29)10-7-8-10)21-12-6-4-5-11(16(12)31-3)17-25-27-28(2)26-17/h4-6,9-10H,7-8H2,1-3H3,(H,20,30)(H2,21,22,23,29)
PDB

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US Patent
n/an/an/an/a 1.70n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500319
PNG
(US11021475, Example 194)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cc(C)no2)c1OC
Show InChI InChI=1S/C21H22N6O4/c1-11-9-16(31-27-11)13-5-4-6-14(19(13)30-3)23-15-10-17(24-20(28)12-7-8-12)25-26-18(15)21(29)22-2/h4-6,9-10,12H,7-8H2,1-3H3,(H,22,29)(H2,23,24,25,28)
PDB

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n/an/an/an/a 80n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500289
PNG
(US11021475, Example 61 | US11021475, Example 76)
Show SMILES CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C21H21N9O2/c1-22-21(31)18-15(11-17(27-28-18)26-16-9-4-5-10-23-16)25-14-8-6-7-13(19(14)32-3)20-24-12-30(2)29-20/h4-12H,1-3H3,(H,22,31)(H2,23,25,26,27)
PDB

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n/an/an/an/a 1.66n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500289
PNG
(US11021475, Example 61 | US11021475, Example 76)
Show SMILES CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C21H21N9O2/c1-22-21(31)18-15(11-17(27-28-18)26-16-9-4-5-10-23-16)25-14-8-6-7-13(19(14)32-3)20-24-12-30(2)29-20/h4-12H,1-3H3,(H,22,31)(H2,23,25,26,27)
PDB

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n/an/an/an/a 6.17n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500301
PNG
(US11021475, Example 108)
Show SMILES CNC(=O)c1nnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C22H24N10O2/c1-12-9-17(26-13(2)25-12)28-18-10-16(19(30-29-18)22(33)23-3)27-15-8-6-7-14(20(15)34-5)21-24-11-32(4)31-21/h6-11H,1-5H3,(H,23,33)(H2,25,26,27,28,29)
PDB

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n/an/an/an/a 1.46n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500310
PNG
(US11021475, Example 151)
Show SMILES CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nnc(C)o2)c1OC
Show InChI InChI=1S/C21H20N8O3/c1-12-26-29-21(32-12)13-7-6-8-14(19(13)31-3)24-15-11-17(25-16-9-4-5-10-23-16)27-28-18(15)20(30)22-2/h4-11H,1-3H3,(H,22,30)(H2,23,24,25,27)
PDB

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n/an/an/an/a 7.22n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500313
PNG
(US11021475, Example 160)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(C)s2)c1OC
Show InChI InChI=1S/C21H22N6O3S/c1-11-23-10-16(31-11)13-5-4-6-14(19(13)30-3)24-15-9-17(25-20(28)12-7-8-12)26-27-18(15)21(29)22-2/h4-6,9-10,12H,7-8H2,1-3H3,(H,22,29)(H2,24,25,26,28)
PDB

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n/an/an/an/a 70n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500318
PNG
(US11021475, Example 188)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnn(CC(F)F)c2)c1OC
Show InChI InChI=1S/C22H23F2N7O3/c1-25-22(33)19-16(8-18(29-30-19)28-21(32)12-6-7-12)27-15-5-3-4-14(20(15)34-2)13-9-26-31(10-13)11-17(23)24/h3-5,8-10,12,17H,6-7,11H2,1-2H3,(H,25,33)(H2,27,28,29,32)
PDB

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n/an/an/an/a 5.10n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500291
PNG
(US11021475, Example 69)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C)nn2)c1OC
Show InChI InChI=1S/C22H23N7O3/c1-12-7-10-15(27-26-12)14-5-4-6-16(20(14)32-3)24-17-11-18(25-21(30)13-8-9-13)28-29-19(17)22(31)23-2/h4-7,10-11,13H,8-9H2,1-3H3,(H,23,31)(H2,24,25,28,30)
PDB

GoogleScholar
UniChem
US Patent
n/an/an/an/a 70n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500292
PNG
(US11021475, Example 70)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncccn2)c1OC
Show InChI InChI=1S/C21H21N7O3/c1-22-21(30)17-15(11-16(27-28-17)26-20(29)12-7-8-12)25-14-6-3-5-13(18(14)31-2)19-23-9-4-10-24-19/h3-6,9-12H,7-8H2,1-2H3,(H,22,30)(H2,25,26,27,29)
PDB

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PDB
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PDB
US Patent
n/an/an/an/a 5.22n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500300
PNG
(US11021475, Example 102)
Show SMILES CNC(=O)c1nnc(Nc2ccc(CO)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C22H23N9O3/c1-23-22(33)19-16(9-18(28-29-19)27-17-8-7-13(11-32)10-24-17)26-15-6-4-5-14(20(15)34-3)21-25-12-31(2)30-21/h4-10,12,32H,11H2,1-3H3,(H,23,33)(H2,24,26,27,28)
PDB

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UniChem
US Patent
n/an/an/an/a 1.59n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500311
PNG
(US11021475, Example 154)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nnc(C)s2)c1OC
Show InChI InChI=1S/C20H21N7O3S/c1-10-24-27-20(31-10)12-5-4-6-13(17(12)30-3)22-14-9-15(23-18(28)11-7-8-11)25-26-16(14)19(29)21-2/h4-6,9,11H,7-8H2,1-3H3,(H,21,29)(H2,22,23,25,28)
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n/an/an/an/a 90n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500316
PNG
(US11021475, Example 183)
Show SMILES CNC(=O)c1nnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2nc(C)n(C)n2)c1OC
Show InChI InChI=1S/C23H26N10O2/c1-12-10-18(26-13(2)25-12)29-19-11-17(20(31-30-19)23(34)24-4)28-16-9-7-8-15(21(16)35-6)22-27-14(3)33(5)32-22/h7-11H,1-6H3,(H,24,34)(H2,25,26,28,29,30)
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n/an/an/an/a 5.72n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500317
PNG
(US11021475, Example 186)
Show SMILES CCCn1cc(cn1)-c1cccc(Nc2cc(NC(=O)C3CC3)nnc2C(=O)NC)c1OC
Show InChI InChI=1S/C23H27N7O3/c1-4-10-30-13-15(12-25-30)16-6-5-7-17(21(16)33-3)26-18-11-19(27-22(31)14-8-9-14)28-29-20(18)23(32)24-2/h5-7,11-14H,4,8-10H2,1-3H3,(H,24,32)(H2,26,27,28,31)
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n/an/an/an/a 60n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500284
PNG
(US11021475, Example 5)
Show SMILES CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)nnc1C(=O)NC1CC1
Show InChI InChI=1S/C20H19FN6O3S/c1-31(29,30)16-5-3-2-4-14(16)24-15-10-18(25-17-9-6-12(21)11-22-17)26-27-19(15)20(28)23-13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,23,28)(H2,22,24,25,26)
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n/an/an/an/a 410n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500307
PNG
(US11021475, Example 142)
Show SMILES CNC(=O)c1nnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2n[nH]c(C)n2)c1OC
Show InChI InChI=1S/C22H22FN9O2/c1-11-8-17(25-10-14(11)23)28-18-9-16(19(31-30-18)22(33)24-3)27-15-7-5-6-13(20(15)34-4)21-26-12(2)29-32-21/h5-10H,1-4H3,(H,24,33)(H,26,29,32)(H2,25,27,28,30)
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n/an/an/an/a 6.95n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500283
PNG
(US11021475, Example 4)
Show SMILES CCNC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C19H19FN6O3S/c1-3-21-19(27)18-14(23-13-6-4-5-7-15(13)30(2,28)29)10-17(25-26-18)24-16-9-8-12(20)11-22-16/h4-11H,3H2,1-2H3,(H,21,27)(H2,22,23,24,25)
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n/an/an/an/a 130n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500288
PNG
(US11021475, Example 52 | US11021475, Example 67)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)
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n/an/an/an/a 6.53n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500294
PNG
(US11021475, Example 75)
Show SMILES CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnccn2)c1OC
Show InChI InChI=1S/C21H21N7O3/c1-22-21(30)18-15(10-17(27-28-18)26-20(29)12-6-7-12)25-14-5-3-4-13(19(14)31-2)16-11-23-8-9-24-16/h3-5,8-12H,6-7H2,1-2H3,(H,22,30)(H2,25,26,27,29)
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n/an/an/an/a 6.18n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500296
PNG
(US11021475, Example 84)
Show SMILES CNC(=O)c1nnc(Nc2cc(ccn2)C(C)O)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C23H25N9O3/c1-13(33)14-8-9-25-18(10-14)28-19-11-17(20(30-29-19)23(34)24-2)27-16-7-5-6-15(21(16)35-4)22-26-12-32(3)31-22/h5-13,33H,1-4H3,(H,24,34)(H2,25,27,28,29)
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n/an/an/an/a 1.28n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500299
PNG
(US11021475, Example 94)
Show SMILES CNC(=O)c1nnc(Nc2ccncn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C20H20N10O2/c1-21-20(31)17-14(9-16(27-28-17)26-15-7-8-22-10-23-15)25-13-6-4-5-12(18(13)32-3)19-24-11-30(2)29-19/h4-11H,1-3H3,(H,21,31)(H2,22,23,25,26,27)
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n/an/an/an/a 1.72n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500297
PNG
(US11021475, Example 85)
Show SMILES CNC(=O)c1nnc(Nc2cc(C)n(C)n2)cc1Nc1cccc(-c2cnn(C)c2)c1OC
Show InChI InChI=1S/C22H25N9O2/c1-13-9-19(29-31(13)4)26-18-10-17(20(28-27-18)22(32)23-2)25-16-8-6-7-15(21(16)33-5)14-11-24-30(3)12-14/h6-12H,1-5H3,(H,23,32)(H2,25,26,27,29)
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n/an/an/an/a 7.36n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500298
PNG
(US11021475, Example 87)
Show SMILES CNC(=O)c1nnc(Nc2cc(OC)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C22H24N10O3/c1-12-25-16(10-18(26-12)34-4)28-17-9-15(19(30-29-17)22(33)23-2)27-14-8-6-7-13(20(14)35-5)21-24-11-32(3)31-21/h6-11H,1-5H3,(H,23,33)(H2,25,26,27,28,29)
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n/an/an/an/a 2.02n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500305
PNG
(US11021475, Example 134)
Show SMILES CNC(=O)c1nnc(Nc2cc(NC(=O)C3CC3)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C25H27N11O3/c1-13-28-18(11-19(29-13)32-24(37)14-8-9-14)31-20-10-17(21(34-33-20)25(38)26-2)30-16-7-5-6-15(22(16)39-4)23-27-12-36(3)35-23/h5-7,10-12,14H,8-9H2,1-4H3,(H,26,38)(H3,28,29,30,31,32,33,37)
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n/an/an/an/a 5.64n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

More data for this
Ligand-Target Pair
non-receptor tyrosine-protein kinase tyk2 (aa 575-869)


(Homo sapiens (Human))
BDBM500303
PNG
(US11021475, Example 114)
Show SMILES CNC(=O)c1nnc(Nc2cc(C)nc(COC)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
Show InChI InChI=1S/C23H26N10O3/c1-13-9-17(29-19(26-13)11-35-4)28-18-10-16(20(31-30-18)23(34)24-2)27-15-8-6-7-14(21(15)36-5)22-25-12-33(3)32-22/h6-10,12H,11H2,1-5H3,(H,24,34)(H2,26,27,28,29,30)
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n/an/an/an/a 1.89n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The probe displacement assay is conducted as follows: In a 385 well plate, test compounds along with recombinantly expressed His-tagged protein corre...


US Patent US11021475 (2021)

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