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Compile Data Set for Download or QSAR

Found 867 hits Enz. Inhib. hit(s) with all data for entry = 9283   
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))
BDBM325545
PNG
(US10189845, Example 207A | US10730880, Example 207...)
Show SMILES CC[C@@H]1CCC[C@@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-2-15-4-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18-,20+/m1/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325424
PNG
((S)-3-(4-(4-(1-((S)- pentan-2-yl)-1H-pyrazol- 4-yl...)
Show SMILES CCC[C@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CO)c1 |r|
Show InChI InChI=1S/C20H25N7O2/c1-3-4-14(2)26-10-16(8-23-26)20-19-5-6-21-27(19)12-18(24-20)15-7-22-25(9-15)11-17(29)13-28/h5-10,12,14,17,28-29H,3-4,11,13H2,1-2H3/t14-,17-/m0/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325515
PNG
((1- hydroxycyclopropyl)(3- (4-(4-(1-(pentan-3-yl)-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C1(O)CC1
Show InChI InChI=1S/C24H28N8O2/c1-3-18(4-2)30-12-17(10-27-30)22-21-5-8-25-32(21)15-20(28-22)16-9-26-31(11-16)19-13-29(14-19)23(33)24(34)6-7-24/h5,8-12,15,18-19,34H,3-4,6-7,13-14H2,1-2H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM455381
PNG
(4-(1-(3-ethyl-1-((trifluoromethyl)sulfonyl)azetidi...)
Show SMILES CCC1(CN(C1)S(=O)(=O)C(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)C1C=N[N](C)=C1 |c:32,35|
Show InChI InChI=1S/C19H20F3N8O2S/c1-3-18(11-28(12-18)33(31,32)19(20,21)22)30-9-14(7-25-30)17-16-4-5-23-29(16)10-15(26-17)13-6-24-27(2)8-13/h4-10,13H,3,11-12H2,1-2H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM455381
PNG
(4-(1-(3-ethyl-1-((trifluoromethyl)sulfonyl)azetidi...)
Show SMILES CCC1(CN(C1)S(=O)(=O)C(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)C1C=N[N](C)=C1 |c:32,35|
Show InChI InChI=1S/C19H20F3N8O2S/c1-3-18(11-28(12-18)33(31,32)19(20,21)22)30-9-14(7-25-30)17-16-4-5-23-29(16)10-15(26-17)13-6-24-27(2)8-13/h4-10,13H,3,11-12H2,1-2H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325500
PNG
((1s,3s)-1-methyl-3-(4-(4-(1-(pentan-3-yl)-1H-pyraz...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@](C)(O)C1 |r,wU:26.31,wD:26.30,(.46,9.04,;-.31,7.71,;.46,6.38,;2,6.38,;2.77,7.71,;-.31,5.04,;.17,3.58,;-1.08,2.67,;-2.33,3.58,;-1.85,5.04,;-1.08,1.13,;.25,.36,;.25,-1.18,;-1.08,-1.95,;-2.41,-1.18,;-3.88,-1.65,;-4.78,-.41,;-3.88,.84,;-2.41,.36,;1.59,-1.95,;3.05,-1.47,;3.96,-2.72,;3.05,-3.96,;1.59,-3.49,;3.45,-5.45,;4.78,-6.22,;4.01,-7.56,;3.24,-8.89,;4.41,-9.04,;2.68,-6.79,)|
Show InChI InChI=1S/C22H27N7O/c1-4-17(5-2)27-13-16(11-25-27)21-20-6-7-23-29(20)14-19(26-21)15-10-24-28(12-15)18-8-22(3,30)9-18/h6-7,10-14,17-18,30H,4-5,8-9H2,1-3H3/t18?,22-
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n/an/a<10n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325501
PNG
(US10189845, Example 163A | US10189845, Example 164...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@](O)(CO)C1 |r,wU:26.30,wD:26.31,(-.1,19.14,;-.87,17.8,;-.1,16.47,;1.44,16.47,;2.21,17.8,;-.87,15.13,;-.39,13.67,;-1.64,12.77,;-2.88,13.67,;-2.41,15.13,;-1.64,11.23,;-.3,10.46,;-.3,8.92,;-1.64,8.15,;-2.97,8.92,;-4.44,8.44,;-5.34,9.69,;-4.44,10.93,;-2.97,10.46,;1.03,8.15,;2.49,8.62,;3.4,7.38,;2.49,6.13,;1.03,6.61,;2.89,4.64,;2.12,3.31,;3.46,2.54,;5,2.54,;3.85,1.05,;5.34,.65,;4.23,3.87,)|
Show InChI InChI=1S/C22H27N7O2/c1-3-17(4-2)27-12-16(10-25-27)21-20-5-6-23-29(20)13-19(26-21)15-9-24-28(11-15)18-7-22(31,8-18)14-30/h5-6,9-13,17-18,30-31H,3-4,7-8,14H2,1-2H3/t18?,22-
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325369
PNG
(1-(4-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-yl)pyrazo...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(C)=O
Show InChI InChI=1S/C24H30N8O/c1-4-20(5-2)30-15-19(13-27-30)24-23-6-9-25-32(23)16-22(28-24)18-12-26-31(14-18)21-7-10-29(11-8-21)17(3)33/h6,9,12-16,20-21H,4-5,7-8,10-11H2,1-3H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325370
PNG
(6-(1-(1- (methylsulfonyl)piperidin- 4-yl)-1H-pyraz...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H30N8O2S/c1-4-19(5-2)29-15-18(13-26-29)23-22-6-9-24-31(22)16-21(27-23)17-12-25-30(14-17)20-7-10-28(11-8-20)34(3,32)33/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325370
PNG
(6-(1-(1- (methylsulfonyl)piperidin- 4-yl)-1H-pyraz...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H30N8O2S/c1-4-19(5-2)29-15-18(13-26-29)23-22-6-9-24-31(22)16-21(27-23)17-12-25-30(14-17)20-7-10-28(11-8-20)34(3,32)33/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325371
PNG
(2-methoxy-1-(4-(4-(4-(1- (pentan-3-yl)-1H-pyrazol-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)COC
Show InChI InChI=1S/C25H32N8O2/c1-4-20(5-2)31-15-19(13-28-31)25-23-6-9-26-33(23)16-22(29-25)18-12-27-32(14-18)21-7-10-30(11-8-21)24(34)17-35-3/h6,9,12-16,20-21H,4-5,7-8,10-11,17H2,1-3H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325371
PNG
(2-methoxy-1-(4-(4-(4-(1- (pentan-3-yl)-1H-pyrazol-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)COC
Show InChI InChI=1S/C25H32N8O2/c1-4-20(5-2)31-15-19(13-28-31)25-23-6-9-26-33(23)16-22(29-25)18-12-27-32(14-18)21-7-10-30(11-8-21)24(34)17-35-3/h6,9,12-16,20-21H,4-5,7-8,10-11,17H2,1-3H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325372
PNG
(N-methyl-4-(4-(4-(1- (pentan-3-yl)-1H-pyrazol- 4-y...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)NC
Show InChI InChI=1S/C24H31N9O/c1-4-19(5-2)31-15-18(13-28-31)23-22-6-9-26-33(22)16-21(29-23)17-12-27-32(14-17)20-7-10-30(11-8-20)24(34)25-3/h6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3,(H,25,34)
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325470
PNG
(US10189845, Example 132A | US10189845, Example 133...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@@H]1C[C@H](O)[C@H](O)C1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-3-16(4-2)27-12-15(10-25-27)22-19-5-6-23-29(19)13-18(26-22)14-9-24-28(11-14)17-7-20(30)21(31)8-17/h5-6,9-13,16-17,20-21,30-31H,3-4,7-8H2,1-2H3/t17-,20+,21-
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325374
PNG
(2-amino-1-(4-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-y...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C24H31N9O/c1-3-19(4-2)31-15-18(13-28-31)24-22-5-8-26-33(22)16-21(29-24)17-12-27-32(14-17)20-6-9-30(10-7-20)23(34)11-25/h5,8,12-16,19-20H,3-4,6-7,9-11,25H2,1-2H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325374
PNG
(2-amino-1-(4-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-y...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CCN(CC1)C(=O)CN
Show InChI InChI=1S/C24H31N9O/c1-3-19(4-2)31-15-18(13-28-31)24-22-5-8-26-33(22)16-21(29-24)17-12-27-32(14-17)20-6-9-30(10-7-20)23(34)11-25/h5,8,12-16,19-20H,3-4,6-7,9-11,25H2,1-2H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM455371
PNG
(6-(1-(1-(methylsulfonyl)azetidin-3-yl)-1H-pyrazol-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CC(C1)S(C)(=O)=O |(.49,4.45,;-.6,3.36,;-2.09,3.76,;-2.49,5.25,;-1.4,6.34,;-3.18,2.67,;-2.7,1.21,;-3.95,.3,;-5.2,1.21,;-4.72,2.67,;-3.95,-1.24,;-2.62,-2.01,;-2.62,-3.55,;-3.95,-4.32,;-5.28,-3.55,;-6.75,-4.03,;-7.65,-2.78,;-6.75,-1.53,;-5.28,-2.01,;-1.28,-4.32,;-1.28,-5.86,;.18,-6.34,;1.09,-5.09,;.18,-3.84,;2.57,-4.69,;3.91,-5.46,;4.68,-4.13,;3.34,-3.36,;6.17,-3.73,;7.25,-4.82,;6.94,-2.4,;7.65,-3.33,)|
Show InChI InChI=1S/C22H27N7O2S/c1-4-17(5-2)27-13-16(11-25-27)22-21-6-7-23-29(21)14-20(26-22)15-10-24-28(12-15)18-8-19(9-18)32(3,30)31/h6-7,10-14,17-19H,4-5,8-9H2,1-3H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325351
PNG
(3-(4-(4-(1-(pentan-3-yl)-1H- pyrazol-4-yl)pyrazolo...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CS(=O)(=O)C1
Show InChI InChI=1S/C20H23N7O2S/c1-3-16(4-2)25-10-15(8-23-25)20-19-5-6-21-27(19)11-18(24-20)14-7-22-26(9-14)17-12-30(28,29)13-17/h5-11,16-17H,3-4,12-13H2,1-2H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325456
PNG
(US10189845, Example 118 | US10730880, Example 121 ...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CC[C@H](O)CC1 |r,wD:27.31,(.79,4.45,;-.3,3.36,;-1.78,3.76,;-2.18,5.25,;-1.09,6.34,;-2.87,2.67,;-2.4,1.21,;-3.64,.3,;-4.89,1.21,;-4.41,2.67,;-3.64,-1.24,;-2.31,-2.01,;-2.31,-3.55,;-3.64,-4.32,;-4.98,-3.55,;-6.44,-4.03,;-7.35,-2.78,;-6.44,-1.53,;-4.98,-2.01,;-.97,-4.32,;-.97,-5.86,;.49,-6.34,;1.4,-5.09,;.49,-3.84,;2.88,-4.69,;3.28,-3.2,;4.77,-2.81,;5.86,-3.89,;7.35,-3.5,;5.46,-5.38,;3.97,-5.78,)|
Show InChI InChI=1S/C23H29N7O/c1-3-18(4-2)28-14-17(12-26-28)23-22-9-10-24-30(22)15-21(27-23)16-11-25-29(13-16)19-5-7-20(31)8-6-19/h9-15,18-20,31H,3-8H2,1-2H3/t19?,20-
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325457
PNG
(US10189845, Example 119 | US10730880, Example 119 ...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@H](O)C1 |r,wU:26.30,(1.23,4.45,;.14,3.36,;-1.35,3.76,;-1.75,5.25,;-.66,6.34,;-2.44,2.67,;-1.96,1.21,;-3.21,.3,;-4.45,1.21,;-3.98,2.67,;-3.21,-1.24,;-1.87,-2.01,;-1.87,-3.55,;-3.21,-4.32,;-4.54,-3.55,;-6,-4.03,;-6.91,-2.78,;-6,-1.53,;-4.54,-2.01,;-.54,-4.32,;-.54,-5.86,;.93,-6.34,;1.83,-5.09,;.93,-3.84,;3.32,-4.69,;4.65,-5.46,;5.42,-4.13,;6.91,-3.73,;4.09,-3.36,)|
Show InChI InChI=1S/C21H25N7O/c1-3-16(4-2)26-12-15(10-24-26)21-20-5-6-22-28(20)13-19(25-21)14-9-23-27(11-14)17-7-18(29)8-17/h5-6,9-13,16-18,29H,3-4,7-8H2,1-2H3/t17?,18-
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325423
PNG
((R)-2-(4-(4-(1-(sec- butyl)-1H-pyrazol-4- yl)pyraz...)
Show SMILES CC[C@@H](C)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
Show InChI InChI=1S/C19H23N7O2/c1-3-13(2)24-9-15(7-21-24)19-18-4-5-20-26(18)10-17(23-19)14-6-22-25(8-14)16(11-27)12-28/h4-10,13,16,27-28H,3,11-12H2,1-2H3/t13-/m1/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325514
PNG
(2-hydroxy-2-methyl-1-(3- (4-(4-(1-(pentan-3-yl)- 1...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)C(C)(C)O
Show InChI InChI=1S/C24H30N8O2/c1-5-18(6-2)30-12-17(10-27-30)22-21-7-8-25-32(21)15-20(28-22)16-9-26-31(11-16)19-13-29(14-19)23(33)24(3,4)34/h7-12,15,18-19,34H,5-6,13-14H2,1-4H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325541
PNG
(US10189845, Example 203B | US10730880, Example 203...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325541
PNG
(US10189845, Example 203B | US10730880, Example 203...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@](C)(O)CO)c1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)20-19-6-7-22-28(19)12-18(25-20)15-8-23-26(10-15)13-21(3,30)14-29/h6-12,17,29-30H,4-5,13-14H2,1-3H3/t21-/m0/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM455539
PNG
((R)-3-(4-(4-(1-((S)-1- cyclopropylbutan-2-yl)- 1H-...)
Show SMILES CC[C@@H](CC1CC1)n1cc(cn1)-c1cnn2cc(ncc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-2-18(5-15-3-4-15)28-11-16(6-25-28)20-8-26-29-13-21(23-9-22(20)29)17-7-24-27(10-17)12-19(31)14-30/h6-11,13,15,18-19,30-31H,2-5,12,14H2,1H3/t18-,19+/m0/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM455539
PNG
((R)-3-(4-(4-(1-((S)-1- cyclopropylbutan-2-yl)- 1H-...)
Show SMILES CC[C@@H](CC1CC1)n1cc(cn1)-c1cnn2cc(ncc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-2-18(5-15-3-4-15)28-11-16(6-25-28)20-8-26-29-13-21(23-9-22(20)29)17-7-24-27(10-17)12-19(31)14-30/h6-11,13,15,18-19,30-31H,2-5,12,14H2,1H3/t18-,19+/m0/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325545
PNG
(US10189845, Example 207A | US10730880, Example 207...)
Show SMILES CC[C@@H]1CCC[C@@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-2-15-4-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18-,20+/m1/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325546
PNG
(US10189845, Example 208B | US10730880, Example 208...)
Show SMILES CC[C@H]1CCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C22H27N7O2/c1-2-15-4-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)13-19(26-22)16-8-24-27(10-16)12-18(31)14-30/h6-11,13,15,18,20,30-31H,2-5,12,14H2,1H3/t15-,18+,20+/m0/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM455543
PNG
((R)-3-(4-(4-(1-((R)-1,1,1-trifluoropentan-3-yl)-1H...)
Show SMILES CCC(CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C20H22F3N7O2/c1-2-15(5-20(21,22)23)29-9-14(7-26-29)19-18-3-4-24-30(18)11-17(27-19)13-6-25-28(8-13)10-16(32)12-31/h3-4,6-9,11,15-16,31-32H,2,5,10,12H2,1H3/t15?,16-/m1/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM455543
PNG
((R)-3-(4-(4-(1-((R)-1,1,1-trifluoropentan-3-yl)-1H...)
Show SMILES CCC(CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C20H22F3N7O2/c1-2-15(5-20(21,22)23)29-9-14(7-26-29)19-18-3-4-24-30(18)11-17(27-19)13-6-25-28(8-13)10-16(32)12-31/h3-4,6-9,11,15-16,31-32H,2,5,10,12H2,1H3/t15?,16-/m1/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM455545
PNG
((R)-2-(4-(4-(1-(1,1,1- trifluoropentan-3-yl)-1H- p...)
Show SMILES CCC(CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO
Show InChI InChI=1S/C20H22F3N7O2/c1-2-15(5-20(21,22)23)28-9-14(7-26-28)19-18-3-4-24-30(18)10-17(27-19)13-6-25-29(8-13)16(11-31)12-32/h3-4,6-10,15-16,31-32H,2,5,11-12H2,1H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM455545
PNG
((R)-2-(4-(4-(1-(1,1,1- trifluoropentan-3-yl)-1H- p...)
Show SMILES CCC(CC(F)(F)F)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO
Show InChI InChI=1S/C20H22F3N7O2/c1-2-15(5-20(21,22)23)28-9-14(7-26-28)19-18-3-4-24-30(18)10-17(27-19)13-6-25-29(8-13)16(11-31)12-32/h3-4,6-10,15-16,31-32H,2,5,11-12H2,1H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325551
PNG
(US10189845, Example 213B | US10189845, Example 214...)
Show SMILES CCC(C1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C21H25N7O2/c1-2-19(14-3-4-14)27-10-16(8-24-27)21-20-5-6-22-28(20)12-18(25-21)15-7-23-26(9-15)11-17(30)13-29/h5-10,12,14,17,19,29-30H,2-4,11,13H2,1H3/t17-,19?/m1/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325551
PNG
(US10189845, Example 213B | US10189845, Example 214...)
Show SMILES CCC(C1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C21H25N7O2/c1-2-19(14-3-4-14)27-10-16(8-24-27)21-20-5-6-22-28(20)12-18(25-21)15-7-23-26(9-15)11-17(30)13-29/h5-10,12,14,17,19,29-30H,2-4,11,13H2,1H3/t17-,19?/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325551
PNG
(US10189845, Example 213B | US10189845, Example 214...)
Show SMILES CCC(C1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CO)c1 |r|
Show InChI InChI=1S/C21H25N7O2/c1-2-19(14-3-4-14)27-10-16(8-24-27)21-20-5-6-22-28(20)12-18(25-21)15-7-23-26(9-15)11-17(30)13-29/h5-10,12,14,17,19,29-30H,2-4,11,13H2,1H3/t17-,19?/m1/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325553
PNG
(US10189845, Example 215B | US10730880, Example 215...)
Show SMILES CCC(C1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO
Show InChI InChI=1S/C21H25N7O2/c1-2-19(14-3-4-14)27-10-16(8-24-27)21-20-5-6-22-28(20)11-18(25-21)15-7-23-26(9-15)17(12-29)13-30/h5-11,14,17,19,29-30H,2-4,12-13H2,1H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325553
PNG
(US10189845, Example 215B | US10730880, Example 215...)
Show SMILES CCC(C1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO
Show InChI InChI=1S/C21H25N7O2/c1-2-19(14-3-4-14)27-10-16(8-24-27)21-20-5-6-22-28(20)11-18(25-21)15-7-23-26(9-15)17(12-29)13-30/h5-11,14,17,19,29-30H,2-4,12-13H2,1H3
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM455552
PNG
((S)-1-(4-(4-(1-((R)-1-cyclopropylpropyl)-1H-pyrazo...)
Show SMILES CCC(C1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](C)O)c1 |r|
Show InChI InChI=1S/C21H25N7O/c1-3-19(15-4-5-15)27-12-17(9-24-27)21-20-6-7-22-28(20)13-18(25-21)16-8-23-26(11-16)10-14(2)29/h6-9,11-15,19,29H,3-5,10H2,1-2H3/t14-,19?/m0/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM455552
PNG
((S)-1-(4-(4-(1-((R)-1-cyclopropylpropyl)-1H-pyrazo...)
Show SMILES CCC(C1CC1)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](C)O)c1 |r|
Show InChI InChI=1S/C21H25N7O/c1-3-19(15-4-5-15)27-12-17(9-24-27)21-20-6-7-22-28(20)13-18(25-21)16-8-23-26(11-16)10-14(2)29/h6-9,11-15,19,29H,3-5,10H2,1-2H3/t14-,19?/m0/s1
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325506
PNG
((1s,3s)-3-(4-(4-(1-(pentan- 3-yl)-1H-pyrazol-4- yl...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(N)=O |r,wU:26.32,(.75,4.49,;-.33,3.4,;-1.82,3.8,;-2.22,5.29,;-1.13,6.38,;-2.91,2.71,;-2.43,1.25,;-3.68,.34,;-4.93,1.25,;-4.45,2.71,;-3.68,-1.2,;-2.35,-1.97,;-2.35,-3.51,;-3.68,-4.28,;-5.01,-3.51,;-6.48,-3.98,;-7.38,-2.74,;-6.48,-1.49,;-5.01,-1.97,;-1.01,-4.28,;-1.01,-5.82,;.45,-6.29,;1.36,-5.05,;.45,-3.8,;2.9,-5.05,;3.99,-6.13,;5.07,-5.05,;3.99,-3.96,;6.61,-5.05,;7.38,-6.38,;7.38,-3.71,)|
Show InChI InChI=1S/C22H26N8O/c1-3-17(4-2)28-12-16(10-26-28)21-20-5-6-24-30(20)13-19(27-21)15-9-25-29(11-15)18-7-14(8-18)22(23)31/h5-6,9-14,17-18H,3-4,7-8H2,1-2H3,(H2,23,31)/t14-,18?
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325506
PNG
((1s,3s)-3-(4-(4-(1-(pentan- 3-yl)-1H-pyrazol-4- yl...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(N)=O |r,wU:26.32,(.75,4.49,;-.33,3.4,;-1.82,3.8,;-2.22,5.29,;-1.13,6.38,;-2.91,2.71,;-2.43,1.25,;-3.68,.34,;-4.93,1.25,;-4.45,2.71,;-3.68,-1.2,;-2.35,-1.97,;-2.35,-3.51,;-3.68,-4.28,;-5.01,-3.51,;-6.48,-3.98,;-7.38,-2.74,;-6.48,-1.49,;-5.01,-1.97,;-1.01,-4.28,;-1.01,-5.82,;.45,-6.29,;1.36,-5.05,;.45,-3.8,;2.9,-5.05,;3.99,-6.13,;5.07,-5.05,;3.99,-3.96,;6.61,-5.05,;7.38,-6.38,;7.38,-3.71,)|
Show InChI InChI=1S/C22H26N8O/c1-3-17(4-2)28-12-16(10-26-28)21-20-5-6-24-30(20)13-19(27-21)15-9-25-29(11-15)18-7-14(8-18)22(23)31/h5-6,9-14,17-18H,3-4,7-8H2,1-2H3,(H2,23,31)/t14-,18?
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325506
PNG
((1s,3s)-3-(4-(4-(1-(pentan- 3-yl)-1H-pyrazol-4- yl...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(N)=O |r,wU:26.32,(.75,4.49,;-.33,3.4,;-1.82,3.8,;-2.22,5.29,;-1.13,6.38,;-2.91,2.71,;-2.43,1.25,;-3.68,.34,;-4.93,1.25,;-4.45,2.71,;-3.68,-1.2,;-2.35,-1.97,;-2.35,-3.51,;-3.68,-4.28,;-5.01,-3.51,;-6.48,-3.98,;-7.38,-2.74,;-6.48,-1.49,;-5.01,-1.97,;-1.01,-4.28,;-1.01,-5.82,;.45,-6.29,;1.36,-5.05,;.45,-3.8,;2.9,-5.05,;3.99,-6.13,;5.07,-5.05,;3.99,-3.96,;6.61,-5.05,;7.38,-6.38,;7.38,-3.71,)|
Show InChI InChI=1S/C22H26N8O/c1-3-17(4-2)28-12-16(10-26-28)21-20-5-6-24-30(20)13-19(27-21)15-9-25-29(11-15)18-7-14(8-18)22(23)31/h5-6,9-14,17-18H,3-4,7-8H2,1-2H3,(H2,23,31)/t14-,18?
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325507
PNG
((1r,3r)-N,N-dimethyl-3-(4- (4-(1-(pentan-3-yl)-1H-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)N(C)C |r,wU:26.32,(-.02,5.16,;-1.1,4.07,;-2.59,4.47,;-2.99,5.96,;-1.9,7.05,;-3.68,3.38,;-3.2,1.92,;-4.45,1.01,;-5.7,1.92,;-5.22,3.38,;-4.45,-.53,;-3.12,-1.3,;-3.12,-2.84,;-4.45,-3.61,;-5.78,-2.84,;-7.25,-3.31,;-8.15,-2.07,;-7.25,-.82,;-5.78,-1.3,;-1.78,-3.61,;-1.78,-5.15,;-.32,-5.62,;.59,-4.38,;-.32,-3.13,;2.13,-4.38,;3.22,-5.47,;4.3,-4.38,;3.22,-3.29,;5.84,-4.38,;6.61,-3.05,;6.61,-5.71,;5.84,-7.05,;8.15,-5.71,)|
Show InChI InChI=1S/C24H30N8O/c1-5-19(6-2)30-14-18(12-27-30)23-22-7-8-25-32(22)15-21(28-23)17-11-26-31(13-17)20-9-16(10-20)24(33)29(3)4/h7-8,11-16,19-20H,5-6,9-10H2,1-4H3/t16-,20?
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325507
PNG
((1r,3r)-N,N-dimethyl-3-(4- (4-(1-(pentan-3-yl)-1H-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)N(C)C |r,wU:26.32,(-.02,5.16,;-1.1,4.07,;-2.59,4.47,;-2.99,5.96,;-1.9,7.05,;-3.68,3.38,;-3.2,1.92,;-4.45,1.01,;-5.7,1.92,;-5.22,3.38,;-4.45,-.53,;-3.12,-1.3,;-3.12,-2.84,;-4.45,-3.61,;-5.78,-2.84,;-7.25,-3.31,;-8.15,-2.07,;-7.25,-.82,;-5.78,-1.3,;-1.78,-3.61,;-1.78,-5.15,;-.32,-5.62,;.59,-4.38,;-.32,-3.13,;2.13,-4.38,;3.22,-5.47,;4.3,-4.38,;3.22,-3.29,;5.84,-4.38,;6.61,-3.05,;6.61,-5.71,;5.84,-7.05,;8.15,-5.71,)|
Show InChI InChI=1S/C24H30N8O/c1-5-19(6-2)30-14-18(12-27-30)23-22-7-8-25-32(22)15-21(28-23)17-11-26-31(13-17)20-9-16(10-20)24(33)29(3)4/h7-8,11-16,19-20H,5-6,9-10H2,1-4H3/t16-,20?
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325510
PNG
((1s,3s)-N-(2- hydroxyethyl)-3-(4-(4-(1- (pentan-3-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)NCCO |r,wU:26.32,(-1.17,5.16,;-2.26,4.07,;-3.75,4.47,;-4.15,5.96,;-3.06,7.05,;-4.84,3.38,;-4.36,1.92,;-5.61,1.01,;-6.85,1.92,;-6.38,3.38,;-5.61,-.53,;-4.27,-1.3,;-4.27,-2.84,;-5.61,-3.61,;-6.94,-2.84,;-8.4,-3.31,;-9.31,-2.07,;-8.4,-.82,;-6.94,-1.3,;-2.94,-3.61,;-2.94,-5.15,;-1.47,-5.62,;-.57,-4.38,;-1.47,-3.13,;.97,-4.38,;2.06,-5.47,;3.15,-4.38,;2.06,-3.29,;4.69,-4.38,;5.46,-3.05,;5.46,-5.71,;7,-5.71,;7.77,-7.05,;9.31,-7.05,)|
Show InChI InChI=1S/C24H30N8O2/c1-3-19(4-2)30-14-18(12-28-30)23-22-5-6-26-32(22)15-21(29-23)17-11-27-31(13-17)20-9-16(10-20)24(34)25-7-8-33/h5-6,11-16,19-20,33H,3-4,7-10H2,1-2H3,(H,25,34)/t16-,20?
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325510
PNG
((1s,3s)-N-(2- hydroxyethyl)-3-(4-(4-(1- (pentan-3-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)NCCO |r,wU:26.32,(-1.17,5.16,;-2.26,4.07,;-3.75,4.47,;-4.15,5.96,;-3.06,7.05,;-4.84,3.38,;-4.36,1.92,;-5.61,1.01,;-6.85,1.92,;-6.38,3.38,;-5.61,-.53,;-4.27,-1.3,;-4.27,-2.84,;-5.61,-3.61,;-6.94,-2.84,;-8.4,-3.31,;-9.31,-2.07,;-8.4,-.82,;-6.94,-1.3,;-2.94,-3.61,;-2.94,-5.15,;-1.47,-5.62,;-.57,-4.38,;-1.47,-3.13,;.97,-4.38,;2.06,-5.47,;3.15,-4.38,;2.06,-3.29,;4.69,-4.38,;5.46,-3.05,;5.46,-5.71,;7,-5.71,;7.77,-7.05,;9.31,-7.05,)|
Show InChI InChI=1S/C24H30N8O2/c1-3-19(4-2)30-14-18(12-28-30)23-22-5-6-26-32(22)15-21(29-23)17-11-27-31(13-17)20-9-16(10-20)24(34)25-7-8-33/h5-6,11-16,19-20,33H,3-4,7-10H2,1-2H3,(H,25,34)/t16-,20?
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325510
PNG
((1s,3s)-N-(2- hydroxyethyl)-3-(4-(4-(1- (pentan-3-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)NCCO |r,wU:26.32,(-1.17,5.16,;-2.26,4.07,;-3.75,4.47,;-4.15,5.96,;-3.06,7.05,;-4.84,3.38,;-4.36,1.92,;-5.61,1.01,;-6.85,1.92,;-6.38,3.38,;-5.61,-.53,;-4.27,-1.3,;-4.27,-2.84,;-5.61,-3.61,;-6.94,-2.84,;-8.4,-3.31,;-9.31,-2.07,;-8.4,-.82,;-6.94,-1.3,;-2.94,-3.61,;-2.94,-5.15,;-1.47,-5.62,;-.57,-4.38,;-1.47,-3.13,;.97,-4.38,;2.06,-5.47,;3.15,-4.38,;2.06,-3.29,;4.69,-4.38,;5.46,-3.05,;5.46,-5.71,;7,-5.71,;7.77,-7.05,;9.31,-7.05,)|
Show InChI InChI=1S/C24H30N8O2/c1-3-19(4-2)30-14-18(12-28-30)23-22-5-6-26-32(22)15-21(29-23)17-11-27-31(13-17)20-9-16(10-20)24(34)25-7-8-33/h5-6,11-16,19-20,33H,3-4,7-10H2,1-2H3,(H,25,34)/t16-,20?
PDB

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n/an/a 55n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM325510
PNG
((1s,3s)-N-(2- hydroxyethyl)-3-(4-(4-(1- (pentan-3-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)NCCO |r,wU:26.32,(-1.17,5.16,;-2.26,4.07,;-3.75,4.47,;-4.15,5.96,;-3.06,7.05,;-4.84,3.38,;-4.36,1.92,;-5.61,1.01,;-6.85,1.92,;-6.38,3.38,;-5.61,-.53,;-4.27,-1.3,;-4.27,-2.84,;-5.61,-3.61,;-6.94,-2.84,;-8.4,-3.31,;-9.31,-2.07,;-8.4,-.82,;-6.94,-1.3,;-2.94,-3.61,;-2.94,-5.15,;-1.47,-5.62,;-.57,-4.38,;-1.47,-3.13,;.97,-4.38,;2.06,-5.47,;3.15,-4.38,;2.06,-3.29,;4.69,-4.38,;5.46,-3.05,;5.46,-5.71,;7,-5.71,;7.77,-7.05,;9.31,-7.05,)|
Show InChI InChI=1S/C24H30N8O2/c1-3-19(4-2)30-14-18(12-28-30)23-22-5-6-26-32(22)15-21(29-23)17-11-27-31(13-17)20-9-16(10-20)24(34)25-7-8-33/h5-6,11-16,19-20,33H,3-4,7-10H2,1-2H3,(H,25,34)/t16-,20?
PDB

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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK1 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM325510
PNG
((1s,3s)-N-(2- hydroxyethyl)-3-(4-(4-(1- (pentan-3-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(=O)NCCO |r,wU:26.32,(-1.17,5.16,;-2.26,4.07,;-3.75,4.47,;-4.15,5.96,;-3.06,7.05,;-4.84,3.38,;-4.36,1.92,;-5.61,1.01,;-6.85,1.92,;-6.38,3.38,;-5.61,-.53,;-4.27,-1.3,;-4.27,-2.84,;-5.61,-3.61,;-6.94,-2.84,;-8.4,-3.31,;-9.31,-2.07,;-8.4,-.82,;-6.94,-1.3,;-2.94,-3.61,;-2.94,-5.15,;-1.47,-5.62,;-.57,-4.38,;-1.47,-3.13,;.97,-4.38,;2.06,-5.47,;3.15,-4.38,;2.06,-3.29,;4.69,-4.38,;5.46,-3.05,;5.46,-5.71,;7,-5.71,;7.77,-7.05,;9.31,-7.05,)|
Show InChI InChI=1S/C24H30N8O2/c1-3-19(4-2)30-14-18(12-28-30)23-22-5-6-26-32(22)15-21(29-23)17-11-27-31(13-17)20-9-16(10-20)24(34)25-7-8-33/h5-6,11-16,19-20,33H,3-4,7-10H2,1-2H3,(H,25,34)/t16-,20?
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Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM325511
PNG
((S)-2-hydroxy-1-(3-(4-(4-(1-(pentan-3-yl)-1H-pyraz...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)C(=O)[C@H](C)O |r|
Show InChI InChI=1S/C23H28N8O2/c1-4-18(5-2)29-11-17(9-26-29)22-21-6-7-24-31(21)14-20(27-22)16-8-25-30(10-16)19-12-28(13-19)23(33)15(3)32/h6-11,14-15,18-19,32H,4-5,12-13H2,1-3H3/t15-/m0/s1
PDB

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n/an/a 55n/an/an/an/an/an/a



Array BioPharma Inc.; Celgene Corporation

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...


US Patent US10730880 (2020)


BindingDB Entry DOI: 10.7270/Q2CC13R9
More data for this
Ligand-Target Pair
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