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Patent code US9617258

Compile Data Set for Download or QSAR

Found 611 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 JAK3


(Homo sapiens (Human))
BDBM316520
PNG
(US9617258, Example 8)
Show SMILES C=CC(=O)N1CC[C@@H]2CCN([C@@H]2C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H19N5O/c1-2-14(22)20-7-4-11-5-8-21(13(11)9-20)16-12-3-6-17-15(12)18-10-19-16/h2-3,6,10-11,13H,1,4-5,7-9H2,(H,17,18,19)/t11-,13-/m1/s1
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n/an/a<0.400n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316526
PNG
(US9617258, Example 14 | US9617258, Example 22)
Show SMILES C[C@H]1C[C@H](CN(C1)C(=O)C=C)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H19N5O/c1-3-13(21)20-7-10(2)6-11(8-20)19-15-12-4-5-16-14(12)17-9-18-15/h3-5,9-11H,1,6-8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316528
PNG
(US9617258, Example 16)
Show SMILES C=CC(=O)N1[C@H]2CC[C@@H]1[C@@H](CC2)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H19N5O/c1-2-14(22)21-10-3-5-12(13(21)6-4-10)20-16-11-7-8-17-15(11)18-9-19-16/h2,7-10,12-13H,1,3-6H2,(H2,17,18,19,20)/t10-,12-,13-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316533
PNG
(US9617258, Example 21 | US9617258, Example 49 | US...)
Show SMILES C=CC(=O)N1CCC2CCN(C2C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H19N5O/c1-2-14(22)20-7-4-11-5-8-21(13(11)9-20)16-12-3-6-17-15(12)18-10-19-16/h2-3,6,10-11,13H,1,4-5,7-9H2,(H,17,18,19)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316566
PNG
(US9617258, Example 55)
Show SMILES OCCc1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)C=C)c12
Show InChI InChI=1S/C16H21N5O2/c1-2-13(23)21-6-3-4-12(9-21)20-16-14-11(5-7-22)8-17-15(14)18-10-19-16/h2,8,10,12,22H,1,3-7,9H2,(H2,17,18,19,20)/t12-/m1/s1
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n/an/a 203n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316571
PNG
(US9617258, Example 60)
Show SMILES O[C@@H]1C[C@H](CN(C1)C(=O)C=C)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C14H17N5O2/c1-2-12(21)19-6-9(5-10(20)7-19)18-14-11-3-4-15-13(11)16-8-17-14/h2-4,8-10,20H,1,5-7H2,(H2,15,16,17,18)/t9-,10-/m1/s1
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n/an/a 603n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316575
PNG
(US9617258, Example 64)
Show SMILES O[C@@H]1CCN(C[C@@H]1Nc1ncnc2[nH]ccc12)C(=O)C=C
Show InChI InChI=1S/C14H17N5O2/c1-2-12(21)19-6-4-11(20)10(7-19)18-14-9-3-5-15-13(9)16-8-17-14/h2-3,5,8,10-11,20H,1,4,6-7H2,(H2,15,16,17,18)/t10-,11+/m0/s1
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n/an/a 996n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316579
PNG
(US9617258, Example 68)
Show SMILES C[C@@H]1CCC(CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11?/m1/s1
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n/an/a>2.48E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316582
PNG
(US9617258, Example 71)
Show SMILES CC1(CCCN(C1)C(=O)C=C)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H19N5O/c1-3-12(21)20-8-4-6-15(2,9-20)19-14-11-5-7-16-13(11)17-10-18-14/h3,5,7,10H,1,4,6,8-9H2,2H3,(H2,16,17,18,19)
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n/an/a 3.42E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316586
PNG
(US9617258, Example 75)
Show SMILES C[C@H]1C[C@@H](CN(C1)C(=O)C=C)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H19N5O/c1-3-13(21)20-7-10(2)6-11(8-20)19-15-12-4-5-16-14(12)17-9-18-15/h3-5,9-11H,1,6-8H2,2H3,(H2,16,17,18,19)/t10-,11-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316588
PNG
(US9617258, Example 77)
Show SMILES CO[C@@H]1C[C@H](CN(C1)C(=O)C=C)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H19N5O2/c1-3-13(21)20-7-10(6-11(8-20)22-2)19-15-12-4-5-16-14(12)17-9-18-15/h3-5,9-11H,1,6-8H2,2H3,(H2,16,17,18,19)/t10-,11-/m1/s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316603
PNG
(2-(hydroxymethyl)-1-[(3R)-3-(7H-pyrrolo[2,3-d]pyri...)
Show SMILES OCC(=C)C(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H19N5O2/c1-10(8-21)15(22)20-6-2-3-11(7-20)19-14-12-4-5-16-13(12)17-9-18-14/h4-5,9,11,21H,1-3,6-8H2,(H2,16,17,18,19)/t11-/m1/s1
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n/an/a 703n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316612
PNG
((2Z)-1-[(3R)-3-(7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES C\C=C/C(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H19N5O/c1-2-4-13(21)20-8-3-5-11(9-20)19-15-12-6-7-16-14(12)17-10-18-15/h2,4,6-7,10-11H,3,5,8-9H2,1H3,(H2,16,17,18,19)/b4-2-/t11-/m1/s1
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n/an/a 353n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316618
PNG
((2E)-4-(dimethylamino)-1-[(3R)-3-{[5-(2-methoxyeth...)
Show SMILES COCCc1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)\C=C\CN(C)C)c12
Show InChI InChI=1S/C20H30N6O2/c1-25(2)9-5-7-17(27)26-10-4-6-16(13-26)24-20-18-15(8-11-28-3)12-21-19(18)22-14-23-20/h5,7,12,14,16H,4,6,8-11,13H2,1-3H3,(H2,21,22,23,24)/b7-5+/t16-/m1/s1
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n/an/a 528n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316619
PNG
((2E)-1-[(3R)-3-{[5-(2-methoxyethyl)-7H-pyrrolo[2,3...)
Show SMILES COCCc1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)\C=C\C)c12
Show InChI InChI=1S/C18H25N5O2/c1-3-5-15(24)23-8-4-6-14(11-23)22-18-16-13(7-9-25-2)10-19-17(16)20-12-21-18/h3,5,10,12,14H,4,6-9,11H2,1-2H3,(H2,19,20,21,22)/b5-3+/t14-/m1/s1
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n/an/a 2.82E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316621
PNG
(US9617258, Example 111)
Show SMILES CC(=O)c1c[nH]c2ncnc(N3CCC4CCN(CC34)C(=O)C=C)c12
Show InChI InChI=1S/C18H21N5O2/c1-3-15(25)22-6-4-12-5-7-23(14(12)9-22)18-16-13(11(2)24)8-19-17(16)20-10-21-18/h3,8,10,12,14H,1,4-7,9H2,2H3,(H,19,20,21)
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n/an/a 4.74E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316696
PNG
(2-({[(3S)-1-acryloylpyrrolidin-3-yl]methyl}amino)-...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(NC[C@@H]3CCN(C3)C(=O)C=C)nc12
Show InChI InChI=1S/C18H24N6O2/c1-4-15(25)24-6-5-12(10-24)7-19-14-9-21-17-16(23-14)13(8-20-17)18(26)22-11(2)3/h4,8-9,11-12H,1,5-7,10H2,2-3H3,(H,19,23)(H,20,21)(H,22,26)/t12-/m0/s1
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n/an/a 138n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316697
PNG
(N-[1-(5H-pyrrolo[2,3-b]pyrazin-2-yl)azetidin-3-yl]...)
Show SMILES C=CC(=O)NC1CN(C1)c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C12H13N5O/c1-2-11(18)15-8-6-17(7-8)10-5-14-12-9(16-10)3-4-13-12/h2-5,8H,1,6-7H2,(H,13,14)(H,15,18)
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n/an/a 272n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316632
PNG
(US9617258, Example 122)
Show SMILES C[C@]12CCN(C1CN(CC2)C(=O)C=C)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H21N5O/c1-3-14(23)21-8-5-17(2)6-9-22(13(17)10-21)16-12-4-7-18-15(12)19-11-20-16/h3-4,7,11,13H,1,5-6,8-10H2,2H3,(H,18,19,20)/t13?,17-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316640
PNG
(US9617258, Example 131)
Show SMILES C=CC(=O)N1CC[C@@H]2CN([C@@H]2C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H17N5O/c1-2-13(21)19-6-4-10-7-20(12(10)8-19)15-11-3-5-16-14(11)17-9-18-15/h2-3,5,9-10,12H,1,4,6-8H2,(H,16,17,18)/t10-,12-/m1/s1
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n/an/a 988n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316647
PNG
(US9617258, Example 138)
Show SMILES C\C=C\C(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]cc(Cc3ccc(O)cc3)c12
Show InChI InChI=1S/C22H25N5O2/c1-2-4-19(29)27-10-3-5-17(13-27)26-22-20-16(12-23-21(20)24-14-25-22)11-15-6-8-18(28)9-7-15/h2,4,6-9,12,14,17,28H,3,5,10-11,13H2,1H3,(H2,23,24,25,26)/b4-2+/t17-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316648
PNG
(US9617258, Example 139)
Show SMILES CC(=C)C(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]cc(Cc3ccc(O)cc3)c12
Show InChI InChI=1S/C22H25N5O2/c1-14(2)22(29)27-9-3-4-17(12-27)26-21-19-16(11-23-20(19)24-13-25-21)10-15-5-7-18(28)8-6-15/h5-8,11,13,17,28H,1,3-4,9-10,12H2,2H3,(H2,23,24,25,26)/t17-/m1/s1
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n/an/a 83.1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316650
PNG
(4-{[(3R)-1-acryloylpiperidin-3-yl]amino}-N-(2-hydr...)
Show SMILES OCCNC(=O)c1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)C=C)c12
Show InChI InChI=1S/C17H22N6O3/c1-2-13(25)23-6-3-4-11(9-23)22-16-14-12(17(26)18-5-7-24)8-19-15(14)20-10-21-16/h2,8,10-11,24H,1,3-7,9H2,(H,18,26)(H2,19,20,21,22)/t11-/m1/s1
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n/an/a 144n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316655
PNG
(4-({(3R)-1-[(2E)-but-2-enoyl]piperidin-3-yl}amino)...)
Show SMILES C\C=C\C(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]cc(C(=O)NCCO)c12
Show InChI InChI=1S/C18H24N6O3/c1-2-4-14(26)24-7-3-5-12(10-24)23-17-15-13(18(27)19-6-8-25)9-20-16(15)21-11-22-17/h2,4,9,11-12,25H,3,5-8,10H2,1H3,(H,19,27)(H2,20,21,22,23)/b4-2+/t12-/m1/s1
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n/an/a 6.96E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316656
PNG
(4-({(3R)-1-[(2E)-but-2-enoyl]piperidin-3-yl}amino)...)
Show SMILES COCCNC(=O)c1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)\C=C\C)c12
Show InChI InChI=1S/C19H26N6O3/c1-3-5-15(26)25-8-4-6-13(11-25)24-18-16-14(19(27)20-7-9-28-2)10-21-17(16)22-12-23-18/h3,5,10,12-13H,4,6-9,11H2,1-2H3,(H,20,27)(H2,21,22,23,24)/b5-3+/t13-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316538
PNG
(1-[(3R)-3-{[5-(pyridin-3-yl)-7H-pyrrolo[2,3-d]pyri...)
Show SMILES C=CC(=O)N1CCC[C@H](C1)Nc1ncnc2[nH]cc(-c3cccnc3)c12
Show InChI InChI=1S/C19H20N6O/c1-2-16(26)25-8-4-6-14(11-25)24-19-17-15(13-5-3-7-20-9-13)10-21-18(17)22-12-23-19/h2-3,5,7,9-10,12,14H,1,4,6,8,11H2,(H2,21,22,23,24)/t14-/m1/s1
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n/an/a 153n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316540
PNG
(1-[(3R)-3-{[5-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrol...)
Show SMILES Cn1cc(cn1)-c1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)C=C)c12
Show InChI InChI=1S/C18H21N7O/c1-3-15(26)25-6-4-5-13(10-25)23-18-16-14(12-7-22-24(2)9-12)8-19-17(16)20-11-21-18/h3,7-9,11,13H,1,4-6,10H2,2H3,(H2,19,20,21,23)/t13-/m1/s1
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n/an/a 48.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316541
PNG
(4-(4-{[(3R)-1-acryloylpiperidin-3-yl]amino}-7H-pyr...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)C=C)c12
Show InChI InChI=1S/C24H28N6O2/c1-4-20(31)30-11-5-6-18(13-30)29-23-21-19(12-25-22(21)26-14-27-23)16-7-9-17(10-8-16)24(32)28-15(2)3/h4,7-10,12,14-15,18H,1,5-6,11,13H2,2-3H3,(H,28,32)(H2,25,26,27,29)/t18-/m1/s1
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n/an/a 665n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316551
PNG
(1-[(3R)-3-{[5-(2-methylpropyl)-7H-pyrrolo[2,3-d]py...)
Show SMILES CC(C)Cc1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)C=C)c12
Show InChI InChI=1S/C18H25N5O/c1-4-15(24)23-7-5-6-14(10-23)22-18-16-13(8-12(2)3)9-19-17(16)20-11-21-18/h4,9,11-12,14H,1,5-8,10H2,2-3H3,(H2,19,20,21,22)/t14-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316553
PNG
(US9617258, Example 41)
Show SMILES FC(F)(F)C(=C)C(=O)N1CC[C@@H]2CCN([C@@H]2C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18F3N5O/c1-10(17(18,19)20)16(26)24-6-3-11-4-7-25(13(11)8-24)15-12-2-5-21-14(12)22-9-23-15/h2,5,9,11,13H,1,3-4,6-8H2,(H,21,22,23)/t11-,13-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316558
PNG
(1-[(3R)-3-{[5-(2-methoxyethyl)-7H-pyrrolo[2,3-d]py...)
Show SMILES COCCc1c[nH]c2ncnc(N[C@@H]3CCCN(C3)C(=O)C=C)c12
Show InChI InChI=1S/C17H23N5O2/c1-3-14(23)22-7-4-5-13(10-22)21-17-15-12(6-8-24-2)9-18-16(15)19-11-20-17/h3,9,11,13H,1,4-8,10H2,2H3,(H2,18,19,20,21)/t13-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316563
PNG
(US9617258, Example 118 | US9617258, Example 52 | U...)
Show SMILES OCC1CCC(CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H19N5O2/c1-2-13(22)20-7-10(3-4-11(20)8-21)19-15-12-5-6-16-14(12)17-9-18-15/h2,5-6,9-11,21H,1,3-4,7-8H2,(H2,16,17,18,19)
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Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316670
PNG
(US9617258, Example 165)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C17H19N5O/c1-3-15(23)22-10-13(5-4-11(22)2)21-14-6-7-19-17-16(14)12(8-18)9-20-17/h3,6-7,9,11,13H,1,4-5,10H2,2H3,(H2,19,20,21)/t11-,13+/m0/s1
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n/an/a 22.7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316676
PNG
(2-{[(3S)-1-acryloylpyrrolidin-3-yl]amino}-N-(propa...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(N[C@H]3CCN(C3)C(=O)C=C)nc12
Show InChI InChI=1S/C17H22N6O2/c1-4-14(24)23-6-5-11(9-23)21-13-8-19-16-15(22-13)12(7-18-16)17(25)20-10(2)3/h4,7-8,10-11H,1,5-6,9H2,2-3H3,(H,18,19)(H,20,25)(H,21,22)/t11-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316676
PNG
(2-{[(3S)-1-acryloylpyrrolidin-3-yl]amino}-N-(propa...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(N[C@H]3CCN(C3)C(=O)C=C)nc12
Show InChI InChI=1S/C17H22N6O2/c1-4-14(24)23-6-5-11(9-23)21-13-8-19-16-15(22-13)12(7-18-16)17(25)20-10(2)3/h4,7-8,10-11H,1,5-6,9H2,2-3H3,(H,18,19)(H,20,25)(H,21,22)/t11-/m0/s1
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n/an/a 32.7n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316680
PNG
(1-[6-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2,6-diazaspir...)
Show SMILES C=CC(=O)N1CC2(C1)CN(C2)c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C14H15N5O/c1-2-12(20)19-8-14(9-19)6-18(7-14)11-5-16-13-10(17-11)3-4-15-13/h2-5H,1,6-9H2,(H,15,16)
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n/an/a 1.61E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316686
PNG
(2-[(3R)-3-(acryloylamino)pyrrolidin-1-yl]-N-(propa...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(nc12)N1CC[C@H](C1)NC(=O)C=C
Show InChI InChI=1S/C17H22N6O2/c1-4-14(24)21-11-5-6-23(9-11)13-8-19-16-15(22-13)12(7-18-16)17(25)20-10(2)3/h4,7-8,10-11H,1,5-6,9H2,2-3H3,(H,18,19)(H,20,25)(H,21,24)/t11-/m1/s1
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n/an/a 10.3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316689
PNG
(2-{[cis-3-(acryloylamino)cyclobutyl]amino}-N-(prop...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(N[C@@H]3C[C@@H](C3)NC(=O)C=C)nc12
Show InChI InChI=1S/C17H22N6O2/c1-4-14(24)22-11-5-10(6-11)21-13-8-19-16-15(23-13)12(7-18-16)17(25)20-9(2)3/h4,7-11H,1,5-6H2,2-3H3,(H,18,19)(H,20,25)(H,21,23)(H,22,24)/t10-,11+
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n/an/a 210n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316692
PNG
(2-{3-[acryloyl(methyl)amino]azetidin-1-yl}-N-(prop...)
Show SMILES CC(C)NC(=O)c1c[nH]c2ncc(nc12)N1CC(C1)N(C)C(=O)C=C
Show InChI InChI=1S/C17H22N6O2/c1-5-14(24)22(4)11-8-23(9-11)13-7-19-16-15(21-13)12(6-18-16)17(25)20-10(2)3/h5-7,10-11H,1,8-9H2,2-4H3,(H,18,19)(H,20,25)
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n/an/a 27.2n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316702
PNG
(N-{[(1R,5S)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-3-az...)
Show SMILES C=CC(=O)NC[C@@]12CC1CN(C2)c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C15H17N5O/c1-2-13(21)18-8-15-5-10(15)7-20(9-15)12-6-17-14-11(19-12)3-4-16-14/h2-4,6,10H,1,5,7-9H2,(H,16,17)(H,18,21)/t10?,15-/m1/s1
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n/an/a 3.49E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316704
PNG
(1-(4-{[7-(6-methylpyridin-3-yl)-5H-pyrrolo[2,3-b]p...)
Show SMILES Cc1ccc(cn1)-c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C20H22N6O/c1-3-18(27)26-8-6-15(7-9-26)24-17-12-23-20-19(25-17)16(11-22-20)14-5-4-13(2)21-10-14/h3-5,10-12,15H,1,6-9H2,2H3,(H,22,23)(H,24,25)
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n/an/a 101n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316713
PNG
(1-[4-({7-[2-(morpholin-4-yl)pyrimidin-5-yl]-5H-pyr...)
Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(-c3cnc(nc3)N3CCOCC3)c2n1
Show InChI InChI=1S/C22H26N8O2/c1-2-19(31)29-5-3-16(4-6-29)27-18-14-24-21-20(28-18)17(13-23-21)15-11-25-22(26-12-15)30-7-9-32-10-8-30/h2,11-14,16H,1,3-10H2,(H,23,24)(H,27,28)
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UniChem
US Patent
n/an/a 5.90n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316717
PNG
(1-(4-{[7-(5-fluoropyridin-3-yl)-5H-pyrrolo[2,3-b]p...)
Show SMILES Fc1cncc(c1)-c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C19H19FN6O/c1-2-17(27)26-5-3-14(4-6-26)24-16-11-23-19-18(25-16)15(10-22-19)12-7-13(20)9-21-8-12/h2,7-11,14H,1,3-6H2,(H,22,23)(H,24,25)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316720
PNG
(1-(4-{[7-(pyrimidin-5-yl)-5H-pyrrolo[2,3-b]pyrazin...)
Show SMILES C=CC(=O)N1CCC(CC1)Oc1cnc2[nH]cc(-c3cncnc3)c2n1
Show InChI InChI=1S/C18H18N6O2/c1-2-16(25)24-5-3-13(4-6-24)26-15-10-22-18-17(23-15)14(9-21-18)12-7-19-11-20-8-12/h2,7-11,13H,1,3-6H2,(H,21,22)
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n/an/a 386n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316724
PNG
(1-(4-{[7-(2-methoxypyrimidin-5-yl)-5H-pyrrolo[2,3-...)
Show SMILES COc1ncc(cn1)-c1c[nH]c2ncc(OC3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C19H20N6O3/c1-3-16(26)25-6-4-13(5-7-25)28-15-11-21-18-17(24-15)14(10-20-18)12-8-22-19(27-2)23-9-12/h3,8-11,13H,1,4-7H2,2H3,(H,20,21)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316728
PNG
(1-[4-({7-[2-(morpholin-4-yl)pyrimidin-5-yl]-5H-pyr...)
Show SMILES C=CC(=O)N1CCC(CC1)Oc1cnc2[nH]cc(-c3cnc(nc3)N3CCOCC3)c2n1
Show InChI InChI=1S/C22H25N7O3/c1-2-19(30)28-5-3-16(4-6-28)32-18-14-24-21-20(27-18)17(13-23-21)15-11-25-22(26-12-15)29-7-9-31-10-8-29/h2,11-14,16H,1,3-10H2,(H,23,24)
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n/an/a 3.36E+3n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316731
PNG
(1-(4-{[7-(6-fluoropyridin-3-yl)-5H-pyrrolo[2,3-b]p...)
Show SMILES Fc1ccc(cn1)-c1c[nH]c2ncc(OC3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C19H18FN5O2/c1-2-17(26)25-7-5-13(6-8-25)27-16-11-23-19-18(24-16)14(10-22-19)12-3-4-15(20)21-9-12/h2-4,9-11,13H,1,5-8H2,(H,22,23)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316738
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-[(1-hydroxy-...)
Show SMILES CC1CCC(O)(CNC(=O)c2c[nH]c3ncc(NC4CCN(CC4)C(=O)C=C)nc23)C1
Show InChI InChI=1S/C22H30N6O3/c1-3-18(29)28-8-5-15(6-9-28)26-17-12-24-20-19(27-17)16(11-23-20)21(30)25-13-22(31)7-4-14(2)10-22/h3,11-12,14-15,31H,1,4-10,13H2,2H3,(H,23,24)(H,25,30)(H,26,27)
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316742
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-{[(3R)-1-hyd...)
Show SMILES C[C@@H]1CCC(O)(CNC(=O)c2c[nH]c3ncc(NC4CCN(CC4)C(=O)C=C)nc23)C1
Show InChI InChI=1S/C22H30N6O3/c1-3-18(29)28-8-5-15(6-9-28)26-17-12-24-20-19(27-17)16(11-23-20)21(30)25-13-22(31)7-4-14(2)10-22/h3,11-12,14-15,31H,1,4-10,13H2,2H3,(H,23,24)(H,25,30)(H,26,27)/t14-,22?/m1/s1
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n/an/a 38.1n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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


(Homo sapiens (Human))
BDBM316748
PNG
(2-[(1-acryloylpiperidin-4-yl)amino]-N-(3,3-difluor...)
Show SMILES FC1(F)CC(C1)NC(=O)c1c[nH]c2ncc(NC3CCN(CC3)C(=O)C=C)nc12
Show InChI InChI=1S/C19H22F2N6O2/c1-2-15(28)27-5-3-11(4-6-27)24-14-10-23-17-16(26-14)13(9-22-17)18(29)25-12-7-19(20,21)8-12/h2,9-12H,1,3-8H2,(H,22,23)(H,24,26)(H,25,29)
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n/an/a 17.9n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9617258 (2017)

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