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Compile Data Set for Download or QSAR

Found 867 hits Enz. Inhib. hit(s) with all data for entry = 9953   
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))		BDBM502821
PNG
(US11028093, Example 118 | trans-4-(4-(4-(1-(pentan...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(-1.81,6.37,;-2.71,5.12,;-2.09,3.72,;-.56,3.56,;.35,4.8,;-2.99,2.47,;-2.52,1.01,;-3.76,.1,;-5.01,1.01,;-4.53,2.47,;-3.76,-1.44,;-2.43,-2.21,;-2.43,-3.75,;-3.76,-4.52,;-5.1,-3.75,;-6.56,-4.22,;-7.47,-2.98,;-6.56,-1.73,;-5.1,-2.21,;-1.1,-4.52,;-.94,-6.05,;.57,-6.37,;1.34,-5.04,;.31,-3.89,;2.87,-4.88,;3.5,-3.47,;5.03,-3.31,;5.94,-4.55,;7.47,-4.39,;5.31,-5.96,;3.78,-6.12,)|
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325375
PNG
(6-(1-(1-(methylsulfonyl)azetidin-3-yl)-1H-pyrazol-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1CN(C1)S(C)(=O)=O
Show InChI InChI=1S/C21H26N8O2S/c1-4-17(5-2)27-11-16(9-24-27)21-20-6-7-22-29(20)14-19(25-21)15-8-23-28(10-15)18-12-26(13-18)32(3,30)31/h6-11,14,17-18H,4-5,12-13H2,1-3H3
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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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325386
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)-c1cnn(C)c1
Show InChI InChI=1S/C19H19F3N8O2S/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/h4-10H,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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325386
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)-c1cnn(C)c1
Show InChI InChI=1S/C19H19F3N8O2S/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/h4-10H,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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM502873
PNG
((1s,3 s)-1-methyl-3-(4-(4-(1-(pentan-3-yl)-1H-pyra...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@@](C)(O)C1 |r,wU:24.27,26.31,wD:26.30,(.5,8.74,;-.41,7.49,;.22,6.08,;1.75,5.92,;2.66,7.17,;-.69,4.84,;-.21,3.37,;-1.46,2.47,;-2.7,3.37,;-2.23,4.84,;-1.46,.93,;-.12,.16,;-.12,-1.38,;-1.46,-2.15,;-2.79,-1.38,;-4.26,-1.86,;-5.16,-.61,;-4.26,.63,;-2.79,.16,;1.21,-2.15,;2.62,-1.53,;3.65,-2.67,;2.88,-4.01,;1.37,-3.68,;3.5,-5.41,;4.94,-5.96,;4.39,-7.4,;3.62,-8.74,;5.16,-8.74,;2.95,-6.85,)|
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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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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM502874
PNG
((1s,3s)-1-(hydroxymethyl)-3-(4-(4-(1-(pentan-3-yl)...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1C[C@](O)(CO)C1 |r,wU:24.27,26.30,wD:26.31,(-.25,19.36,;-1.15,18.12,;-.53,16.71,;1.01,16.55,;1.91,17.79,;-1.43,15.46,;-.95,14,;-2.2,13.09,;-3.45,14,;-2.97,15.46,;-2.2,11.55,;-.87,10.78,;-.87,9.24,;-2.2,8.47,;-3.53,9.24,;-5,8.77,;-5.9,10.01,;-5,11.26,;-3.53,10.78,;.47,8.47,;1.87,9.1,;2.9,7.96,;2.13,6.62,;.63,6.94,;2.76,5.22,;4.2,4.66,;3.65,3.23,;5.19,3.23,;4.42,1.89,;5.9,1.49,;2.21,3.78,)|
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325478
PNG
((R)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@@H](O)C2)c1 |r|
Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325478
PNG
((R)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@@H](O)C2)c1 |r|
Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325479
PNG
((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r|
Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325479
PNG
((S)-1-(2-(4-(4-(1-(pentan-3- yl)-1H-pyrazol-4- yl)...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CC[C@H](O)C2)c1 |r|
Show InChI InChI=1S/C23H30N8O/c1-3-19(4-2)30-14-18(12-26-30)23-22-5-7-24-31(22)16-21(27-23)17-11-25-29(13-17)10-9-28-8-6-20(32)15-28/h5,7,11-14,16,19-20,32H,3-4,6,8-10,15H2,1-2H3/t20-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325480
PNG
((S)-1-methyl-3-((2-(4-(4-(1- (pentan-3-yl)-1H-pyra...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN[C@H]2CCN(C)C2=O)c1 |r|
Show InChI InChI=1S/C24H31N9O/c1-4-19(5-2)32-15-18(13-28-32)23-22-6-8-26-33(22)16-21(29-23)17-12-27-31(14-17)11-9-25-20-7-10-30(3)24(20)34/h6,8,12-16,19-20,25H,4-5,7,9-11H2,1-3H3/t20-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325480
PNG
((S)-1-methyl-3-((2-(4-(4-(1- (pentan-3-yl)-1H-pyra...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN[C@H]2CCN(C)C2=O)c1 |r|
Show InChI InChI=1S/C24H31N9O/c1-4-19(5-2)32-15-18(13-28-32)23-22-6-8-26-33(22)16-21(29-23)17-12-27-31(14-17)11-9-25-20-7-10-30(3)24(20)34/h6,8,12-16,19-20,25H,4-5,7,9-11H2,1-3H3/t20-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325481
PNG
((R)-1-methyl-3-((2-(4-(4-(1- (pentan-3-yl)-1H-pyra...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN[C@@H]2CCN(C)C2=O)c1 |r|
Show InChI InChI=1S/C24H31N9O/c1-4-19(5-2)32-15-18(13-28-32)23-22-6-8-26-33(22)16-21(29-23)17-12-27-31(14-17)11-9-25-20-7-10-30(3)24(20)34/h6,8,12-16,19-20,25H,4-5,7,9-11H2,1-3H3/t20-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325482
PNG
(4-(2-(4-(4-(1-(pentan-3-yl)- 1H-pyrazol-4- yl)pyra...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCNC(=O)C2)c1
Show InChI InChI=1S/C23H29N9O/c1-3-19(4-2)31-14-18(12-27-31)23-21-5-6-25-32(21)15-20(28-23)17-11-26-30(13-17)10-9-29-8-7-24-22(33)16-29/h5-6,11-15,19H,3-4,7-10,16H2,1-2H3,(H,24,33)
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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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325482
PNG
(4-(2-(4-(4-(1-(pentan-3-yl)- 1H-pyrazol-4- yl)pyra...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCNC(=O)C2)c1
Show InChI InChI=1S/C23H29N9O/c1-3-19(4-2)31-14-18(12-27-31)23-21-5-6-25-32(21)15-20(28-23)17-11-26-30(13-17)10-9-29-8-7-24-22(33)16-29/h5-6,11-15,19H,3-4,7-10,16H2,1-2H3,(H,24,33)
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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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325483
PNG
((3-((2-(4-(4-(1-(pentan-3-yl)- 1H-pyrazol-4- yl)py...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCNC2CC(CO)C2)c1 |(-.01,7,;-1.09,5.91,;-2.58,6.31,;-2.98,7.8,;-1.89,8.89,;-3.67,5.22,;-3.19,3.76,;-4.44,2.85,;-5.69,3.76,;-5.21,5.22,;-4.44,1.31,;-3.11,.54,;-3.11,-1,;-4.44,-1.77,;-5.77,-1,;-7.24,-1.47,;-8.14,-.23,;-7.24,1.02,;-5.77,.54,;-1.77,-1.77,;-.31,-1.29,;.6,-2.54,;-.31,-3.78,;.09,-5.27,;1.58,-5.67,;1.98,-7.16,;3.46,-7.55,;4.23,-8.89,;5.57,-8.12,;7.06,-8.52,;8.14,-7.43,;4.8,-6.78,;-1.77,-3.31,)|
Show InChI InChI=1S/C24H32N8O/c1-3-21(4-2)31-14-19(12-28-31)24-23-5-6-26-32(23)15-22(29-24)18-11-27-30(13-18)8-7-25-20-9-17(10-20)16-33/h5-6,11-15,17,20-21,25,33H,3-4,7-10,16H2,1-2H3
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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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325484
PNG
((1-(2-(4-(4-(1-(pentan-3-yl)- 1H-pyrazol-4- yl)pyr...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCC(CO)CC2)c1
Show InChI InChI=1S/C25H34N8O/c1-3-22(4-2)32-16-21(14-28-32)25-24-5-8-26-33(24)17-23(29-25)20-13-27-31(15-20)12-11-30-9-6-19(18-34)7-10-30/h5,8,13-17,19,22,34H,3-4,6-7,9-12,18H2,1-2H3
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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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325484
PNG
((1-(2-(4-(4-(1-(pentan-3-yl)- 1H-pyrazol-4- yl)pyr...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCC(CO)CC2)c1
Show InChI InChI=1S/C25H34N8O/c1-3-22(4-2)32-16-21(14-28-32)25-24-5-8-26-33(24)17-23(29-25)20-13-27-31(15-20)12-11-30-9-6-19(18-34)7-10-30/h5,8,13-17,19,22,34H,3-4,6-7,9-12,18H2,1-2H3
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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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325485
PNG
(1-(2-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-yl)pyrazo...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCNCC2=O)c1
Show InChI InChI=1S/C23H29N9O/c1-3-19(4-2)31-15-18(12-27-31)23-21-5-6-25-32(21)16-20(28-23)17-11-26-30(14-17)10-9-29-8-7-24-13-22(29)33/h5-6,11-12,14-16,19,24H,3-4,7-10,13H2,1-2H3
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ARRAY BIOPHARMA INC.; CELGENE CORPORATION

US Patent


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

US Patent US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325485
PNG
(1-(2-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-yl)pyrazo...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(CCN2CCNCC2=O)c1
Show InChI InChI=1S/C23H29N9O/c1-3-19(4-2)31-15-18(12-27-31)23-21-5-6-25-32(21)16-20(28-23)17-11-26-30(14-17)10-9-29-8-7-24-13-22(29)33/h5-6,11-12,14-16,19,24H,3-4,7-10,13H2,1-2H3
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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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325487
PNG
(US10189845, Example 149B | US10730880, Example 149...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](CN)OC)c1 |r|
Show InChI InChI=1S/C21H28N8O/c1-4-17(5-2)28-12-16(10-25-28)21-20-6-7-23-29(20)14-19(26-21)15-9-24-27(11-15)13-18(8-22)30-3/h6-7,9-12,14,17-18H,4-5,8,13,22H2,1-3H3/t18-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325487
PNG
(US10189845, Example 149B | US10730880, Example 149...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](CN)OC)c1 |r|
Show InChI InChI=1S/C21H28N8O/c1-4-17(5-2)28-12-16(10-25-28)21-20-6-7-23-29(20)14-19(26-21)15-9-24-27(11-15)13-18(8-22)30-3/h6-7,9-12,14,17-18H,4-5,8,13,22H2,1-3H3/t18-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325488
PNG
(US10189845, Example 150A | US10730880, Example 150...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)12-19(26-22)16-8-24-27(10-16)18(13-30)14-31/h6-12,15,18,20,30-31H,2-5,13-14H2,1H3/t15-,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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325488
PNG
(US10189845, Example 150A | US10730880, Example 150...)
Show SMILES C[C@@H]1CCCC[C@H]1n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C(CO)CO |r|
Show InChI InChI=1S/C22H27N7O2/c1-15-4-2-3-5-20(15)28-11-17(9-25-28)22-21-6-7-23-29(21)12-19(26-22)16-8-24-27(10-16)18(13-30)14-31/h6-12,15,18,20,30-31H,2-5,13-14H2,1H3/t15-,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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325439
PNG
((S)-1-(dimethylamino)-3- (4-(4-(1-(pentan-3-yl)- 1...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CN(C)C)c1 |r|
Show InChI InChI=1S/C22H30N8O/c1-5-18(6-2)29-12-17(10-25-29)22-21-7-8-23-30(21)15-20(26-22)16-9-24-28(11-16)14-19(31)13-27(3)4/h7-12,15,18-19,31H,5-6,13-14H2,1-4H3/t19-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325439
PNG
((S)-1-(dimethylamino)-3- (4-(4-(1-(pentan-3-yl)- 1...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CN(C)C)c1 |r|
Show InChI InChI=1S/C22H30N8O/c1-5-18(6-2)29-12-17(10-25-29)22-21-7-8-23-30(21)15-20(26-22)16-9-24-28(11-16)14-19(31)13-27(3)4/h7-12,15,18-19,31H,5-6,13-14H2,1-4H3/t19-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325440
PNG
((S)-1-(methylamino)-3- (4-(4-(1-(pentan-3-yl)- 1H-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CNC)c1 |r|
Show InChI InChI=1S/C21H28N8O/c1-4-17(5-2)28-12-16(9-25-28)21-20-6-7-23-29(20)14-19(26-21)15-8-24-27(11-15)13-18(30)10-22-3/h6-9,11-12,14,17-18,22,30H,4-5,10,13H2,1-3H3/t18-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325441
PNG
((R)-1-(3- methoxyazetidin-1-yl)-3- (4-(4-(1-(penta...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CN2CC(C2)OC)c1 |r|
Show InChI InChI=1S/C24H32N8O2/c1-4-19(5-2)31-11-18(9-27-31)24-23-6-7-25-32(23)16-22(28-24)17-8-26-30(10-17)13-20(33)12-29-14-21(15-29)34-3/h6-11,16,19-21,33H,4-5,12-15H2,1-3H3/t20-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325441
PNG
((R)-1-(3- methoxyazetidin-1-yl)-3- (4-(4-(1-(penta...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)CN2CC(C2)OC)c1 |r|
Show InChI InChI=1S/C24H32N8O2/c1-4-19(5-2)31-11-18(9-27-31)24-23-6-7-25-32(23)16-22(28-24)17-8-26-30(10-17)13-20(33)12-29-14-21(15-29)34-3/h6-11,16,19-21,33H,4-5,12-15H2,1-3H3/t20-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325442
PNG
((S)-1-(3- methoxyazetidin-1-yl)-3- (4-(4-(1-(penta...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CN2CC(C2)OC)c1 |r|
Show InChI InChI=1S/C24H32N8O2/c1-4-19(5-2)31-11-18(9-27-31)24-23-6-7-25-32(23)16-22(28-24)17-8-26-30(10-17)13-20(33)12-29-14-21(15-29)34-3/h6-11,16,19-21,33H,4-5,12-15H2,1-3H3/t20-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325442
PNG
((S)-1-(3- methoxyazetidin-1-yl)-3- (4-(4-(1-(penta...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)CN2CC(C2)OC)c1 |r|
Show InChI InChI=1S/C24H32N8O2/c1-4-19(5-2)31-11-18(9-27-31)24-23-6-7-25-32(23)16-22(28-24)17-8-26-30(10-17)13-20(33)12-29-14-21(15-29)34-3/h6-11,16,19-21,33H,4-5,12-15H2,1-3H3/t20-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325445
PNG
((R)-1-methoxy-3-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)COC)c1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)21-20-6-7-22-28(20)13-19(25-21)15-8-23-26(10-15)12-18(29)14-30-3/h6-11,13,17-18,29H,4-5,12,14H2,1-3H3/t18-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM325445
PNG
((R)-1-methoxy-3-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H](O)COC)c1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)21-20-6-7-22-28(20)13-19(25-21)15-8-23-26(10-15)12-18(29)14-30-3/h6-11,13,17-18,29H,4-5,12,14H2,1-3H3/t18-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325446
PNG
((S)-1-methoxy-3-(4-(4- (1-(pentan-3-yl)-1H- pyrazo...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@H](O)COC)c1 |r|
Show InChI InChI=1S/C21H27N7O2/c1-4-17(5-2)27-11-16(9-24-27)21-20-6-7-22-28(20)13-19(25-21)15-8-23-26(10-15)12-18(29)14-30-3/h6-11,13,17-18,29H,4-5,12,14H2,1-3H3/t18-/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 US11028093 (2021)


BindingDB Entry DOI: 10.7270/Q2T156RN
More data for this
Ligand-Target Pair
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