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Compile Data Set for Download or QSAR

Found 951 hits Enz. Inhib. hit(s) with all data for entry = 2915   
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385180
PNG
(US10287267, Compound 342 | US10508099, Compound 34...)
Show SMILES C[C@@H]1COCCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C20H23N5O2/c1-14-13-27-6-5-25(14)12-20(26)23-19-8-17-7-15(3-4-16(17)9-21-19)18-10-22-24(2)11-18/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,21,23,26)/t14-/m1/s1
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n/an/an/an/a 6.5n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385181
PNG
(US10287267, Compound 343 | US10508099, Compound 34...)
Show SMILES C[C@H]1CN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CCO1 |r|
Show InChI InChI=1S/C20H23N5O2/c1-14-11-25(5-6-27-14)13-20(26)23-19-8-17-7-15(3-4-16(17)9-21-19)18-10-22-24(2)12-18/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3,(H,21,23,26)/t14-/m0/s1
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n/an/an/an/a 9.90n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385182
PNG
(US10287267, Compound 344 | US10508099, Compound 34...)
Show SMILES C[C@H]1CN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)C[C@@H](C)O1 |r|
Show InChI InChI=1S/C21H25N5O2/c1-14-10-26(11-15(2)28-14)13-21(27)24-20-7-18-6-16(4-5-17(18)8-22-20)19-9-23-25(3)12-19/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,22,24,27)/t14-,15+
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n/an/an/an/a 10.5n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385183
PNG
(US10287267, Compound 345 | US10508099, Compound 34...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3C[C@@H]4C[C@H]3CO4)cc2c1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-24-9-16(8-22-24)13-2-3-14-7-21-19(5-15(14)4-13)23-20(26)11-25-10-18-6-17(25)12-27-18/h2-5,7-9,17-18H,6,10-12H2,1H3,(H,21,23,26)/t17-,18-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385184
PNG
(US10287267, Compound 346 | US10508099, Compound 34...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3C[C@H]4C[C@@H]3CO4)cc2c1 |r|
Show InChI InChI=1S/C20H21N5O2/c1-24-9-16(8-22-24)13-2-3-14-7-21-19(5-15(14)4-13)23-20(26)11-25-10-18-6-17(25)12-27-18/h2-5,7-9,17-18H,6,10-12H2,1H3,(H,21,23,26)/t17-,18-/m1/s1
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n/an/an/an/a 9.90n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385185
PNG
(US10287267, Compound 347 | US10508099, Compound 34...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3C4CCC3COC4)cc2c1
Show InChI InChI=1S/C21H23N5O2/c1-25-10-17(9-23-25)14-2-3-15-8-22-20(7-16(15)6-14)24-21(27)11-26-18-4-5-19(26)13-28-12-18/h2-3,6-10,18-19H,4-5,11-13H2,1H3,(H,22,24,27)
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n/an/an/an/a 10.4n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385186
PNG
(US10287267, Compound 348 | US10508099, Compound 34...)
Show SMILES C[C@H](N1CCOCC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C20H23N5O2/c1-14(25-5-7-27-8-6-25)20(26)23-19-10-17-9-15(3-4-16(17)11-21-19)18-12-22-24(2)13-18/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)/t14-/m0/s1
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n/an/an/an/a 77.5n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385187
PNG
(US10287267, Compound 349 | US10508099, Compound 34...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CC3CNCCO3)cc2c1
Show InChI InChI=1S/C19H21N5O2/c1-24-12-16(10-22-24)13-2-3-14-9-21-18(7-15(14)6-13)23-19(25)8-17-11-20-4-5-26-17/h2-3,6-7,9-10,12,17,20H,4-5,8,11H2,1H3,(H,21,23,25)
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n/an/an/an/a 6.5n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385188
PNG
(US10287267, Compound 350 | US10508099, Compound 35...)
Show SMILES CN1CCOC(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)C1
Show InChI InChI=1S/C20H23N5O2/c1-24-5-6-27-18(13-24)9-20(26)23-19-8-16-7-14(3-4-15(16)10-21-19)17-11-22-25(2)12-17/h3-4,7-8,10-12,18H,5-6,9,13H2,1-2H3,(H,21,23,26)
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n/an/an/an/a 6.20n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385189
PNG
(US10287267, Compound 351 | US10508099, Compound 35...)
Show SMILES CCN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C21H26N6O/c1-3-26-6-8-27(9-7-26)15-21(28)24-20-11-18-10-16(4-5-17(18)12-22-20)19-13-23-25(2)14-19/h4-5,10-14H,3,6-9,15H2,1-2H3,(H,22,24,28)
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n/an/an/an/a 13.6n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385190
PNG
(US10287267, Compound 352 | US10508099, Compound 35...)
Show SMILES CC(C)N1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C22H28N6O/c1-16(2)28-8-6-27(7-9-28)15-22(29)25-21-11-19-10-17(4-5-18(19)12-23-21)20-13-24-26(3)14-20/h4-5,10-14,16H,6-9,15H2,1-3H3,(H,23,25,29)
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n/an/an/an/a 21.5n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385191
PNG
(US10287267, Compound 353 | US10508099, Compound 35...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCN(CC3)C3CC3)cc2c1
Show InChI InChI=1S/C22H26N6O/c1-26-14-19(13-24-26)16-2-3-17-12-23-21(11-18(17)10-16)25-22(29)15-27-6-8-28(9-7-27)20-4-5-20/h2-3,10-14,20H,4-9,15H2,1H3,(H,23,25,29)
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n/an/an/an/a 8.60n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385192
PNG
(US10287267, Compound 354 | US10508099, Compound 35...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCN(CCF)CC3)cc2c1
Show InChI InChI=1S/C21H25FN6O/c1-26-14-19(13-24-26)16-2-3-17-12-23-20(11-18(17)10-16)25-21(29)15-28-8-6-27(5-4-22)7-9-28/h2-3,10-14H,4-9,15H2,1H3,(H,23,25,29)
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n/an/an/an/a 4.40n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385193
PNG
(US10287267, Compound 355 | US10508099, Compound 35...)
Show SMILES C[C@H]1CN(C)CCN1CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C21H26N6O/c1-15-12-25(2)6-7-27(15)14-21(28)24-20-9-18-8-16(4-5-17(18)10-22-20)19-11-23-26(3)13-19/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3,(H,22,24,28)/t15-/m0/s1
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n/an/an/an/a 6.40n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385194
PNG
(US10287267, Compound 358 | US10508099, Compound 35...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CCO)CC3)cc2c1
Show InChI InChI=1S/C21H25N5O2/c1-25-14-19(13-23-25)16-2-3-17-12-22-20(11-18(17)10-16)24-21(28)15-4-6-26(7-5-15)8-9-27/h2-3,10-15,27H,4-9H2,1H3,(H,22,24,28)
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n/an/an/an/a 0.600n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385195
PNG
(US10287267, Compound 359 | US10508099, Compound 35...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(Cc4ccccn4)CC3)cc2c1
Show InChI InChI=1S/C25H26N6O/c1-30-16-22(15-28-30)19-5-6-20-14-27-24(13-21(20)12-19)29-25(32)18-7-10-31(11-8-18)17-23-4-2-3-9-26-23/h2-6,9,12-16,18H,7-8,10-11,17H2,1H3,(H,27,29,32)
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n/an/an/an/a 3n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385196
PNG
(US10287267, Compound 360 | US10508099, Compound 36...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(Cc4ncco4)CC3)cc2c1
Show InChI InChI=1S/C23H24N6O2/c1-28-14-20(13-26-28)17-2-3-18-12-25-21(11-19(18)10-17)27-23(30)16-4-7-29(8-5-16)15-22-24-6-9-31-22/h2-3,6,9-14,16H,4-5,7-8,15H2,1H3,(H,25,27,30)
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n/an/an/an/a 1.90n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385197
PNG
(US10287267, Compound 362 | US10508099, Compound 36...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)N3CN4CCCC4C3=O)cc2c1
Show InChI InChI=1S/C20H20N6O2/c1-24-11-16(10-22-24)13-4-5-14-9-21-18(8-15(14)7-13)23-20(28)26-12-25-6-2-3-17(25)19(26)27/h4-5,7-11,17H,2-3,6,12H2,1H3,(H,21,23,28)
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n/an/an/an/a 132n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385198
PNG
(US10287267, Compound 363 | US10508099, Compound 36...)
Show SMILES CN1CCC[C@@H]1C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C19H21N5O/c1-23-7-3-4-17(23)19(25)22-18-9-15-8-13(5-6-14(15)10-20-18)16-11-21-24(2)12-16/h5-6,8-12,17H,3-4,7H2,1-2H3,(H,20,22,25)/t17-/m1/s1
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n/an/an/an/a 50.3n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385199
PNG
(US10287267, Compound 364 | US10508099, Compound 36...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC3)c(Cl)c2c1
Show InChI InChI=1S/C17H15ClN4O/c1-22-9-13(8-20-22)11-4-5-12-7-19-16(15(18)14(12)6-11)21-17(23)10-2-3-10/h4-10H,2-3H2,1H3,(H,19,21,23)
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n/an/an/an/a 840n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385200
PNG
(US10287267, Compound 365 | US10508099, Compound 36...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@H](N)CC3)cc2c1 |r,wU:19.20,wD:16.16,(-8.38,3.21,;-7.61,1.88,;-6.15,1.41,;-6.15,-.13,;-7.61,-.61,;-8.52,.64,;-4.82,-.9,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-.82,-3.21,;.52,-2.44,;.52,-.9,;1.85,-.13,;3.19,-.9,;3.19,-2.44,;4.52,-.13,;5.85,-.9,;7.19,-.13,;7.19,1.41,;8.52,2.18,;5.85,2.18,;4.52,1.41,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,)|
Show InChI InChI=1S/C20H23N5O/c1-25-12-17(11-23-25)14-2-3-15-10-22-19(9-16(15)8-14)24-20(26)13-4-6-18(21)7-5-13/h2-3,8-13,18H,4-7,21H2,1H3,(H,22,24,26)/t13-,18-
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n/an/an/an/a 2.70n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385201
PNG
(US10287267, Compound 366 | US10508099, Compound 36...)
Show SMILES Cn1cc(cn1)-c1cc(F)c2cnc(NC(=O)C3CCNCC3)cc2c1
Show InChI InChI=1S/C19H20FN5O/c1-25-11-15(9-23-25)13-6-14-8-18(22-10-16(14)17(20)7-13)24-19(26)12-2-4-21-5-3-12/h6-12,21H,2-5H2,1H3,(H,22,24,26)
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n/an/an/an/a 10.6n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385202
PNG
(US10287267, Compound 367 | US10508099, Compound 36...)
Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C23H28FN5O/c1-15(2)13-29-6-4-16(5-7-29)23(30)27-22-10-18-8-17(19-11-26-28(3)14-19)9-21(24)20(18)12-25-22/h8-12,14-16H,4-7,13H2,1-3H3,(H,25,27,30)
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n/an/an/an/a 11.1n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385203
PNG
(US10287267, Compound 368 | US10508099, Compound 36...)
Show SMILES Cn1cc(cn1)-c1cc(F)c2cnc(NC(=O)C3CCN(CCF)CC3)cc2c1
Show InChI InChI=1S/C21H23F2N5O/c1-27-13-17(11-25-27)15-8-16-10-20(24-12-18(16)19(23)9-15)26-21(29)14-2-5-28(6-3-14)7-4-22/h8-14H,2-7H2,1H3,(H,24,26,29)
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n/an/an/an/a 7.90n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385204
PNG
(US10287267, Compound 369 | US10508099, Compound 36...)
Show SMILES Cn1cc(cn1)-c1cc2cc(NC(=O)C3CCNCC3)ncc2cc1F
Show InChI InChI=1S/C19H20FN5O/c1-25-11-15(10-23-25)16-6-13-8-18(22-9-14(13)7-17(16)20)24-19(26)12-2-4-21-5-3-12/h6-12,21H,2-5H2,1H3,(H,22,24,26)
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n/an/an/an/a 2.80n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385205
PNG
(US10287267, Compound 370 | US10508099, Compound 37...)
Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(-c3cnn(C)c3)c(F)cc2cn1
Show InChI InChI=1S/C23H28FN5O/c1-15(2)13-29-6-4-16(5-7-29)23(30)27-22-10-17-8-20(19-12-26-28(3)14-19)21(24)9-18(17)11-25-22/h8-12,14-16H,4-7,13H2,1-3H3,(H,25,27,30)
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n/an/an/an/a 3.10n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385206
PNG
(US10287267, Compound 371 | US10508099, Compound 37...)
Show SMILES Cn1cc(cn1)-c1cc2cc(NC(=O)C3CCN(CCF)CC3)ncc2cc1F
Show InChI InChI=1S/C21H23F2N5O/c1-27-13-17(12-25-27)18-8-15-10-20(24-11-16(15)9-19(18)23)26-21(29)14-2-5-28(6-3-14)7-4-22/h8-14H,2-7H2,1H3,(H,24,26,29)
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n/an/an/an/a 2.40n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385207
PNG
(US10287267, Compound 372 | US10508099, Compound 37...)
Show SMILES CN1CCN(CC(=O)Nc2cc3cc(-c4cnn(C)c4)c(F)cc3cn2)CC1
Show InChI InChI=1S/C20H23FN6O/c1-25-3-5-27(6-4-25)13-20(28)24-19-9-14-7-17(16-11-23-26(2)12-16)18(21)8-15(14)10-22-19/h7-12H,3-6,13H2,1-2H3,(H,22,24,28)
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n/an/an/an/a 10.6n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385208
PNG
(US10287267, Compound 376 | US10508099, Compound 37...)
Show SMILES Cc1ncc(-c2ccc3cnc(NC(=O)C4(F)CC4)cc3c2)n1C
Show InChI InChI=1S/C18H17FN4O/c1-11-20-10-15(23(11)2)12-3-4-13-9-21-16(8-14(13)7-12)22-17(24)18(19)5-6-18/h3-4,7-10H,5-6H2,1-2H3,(H,21,22,24)
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n/an/an/an/a 5.5n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385209
PNG
(US10287267, Compound 433 | US10508099, Compound 43...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1
Show InChI InChI=1S/C16H15N5O/c1-21-9-14(19-20-21)11-4-5-12-8-17-15(7-13(12)6-11)18-16(22)10-2-3-10/h4-10H,2-3H2,1H3,(H,17,18,22)
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n/an/an/an/a 1.90n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385210
PNG
(US10287267, Compound 441 | US10508099, Compound 44...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1
Show InChI InChI=1S/C19H19F2N5O/c1-26-11-16(24-25-26)13-2-3-14-10-22-17(9-15(14)8-13)23-18(27)12-4-6-19(20,21)7-5-12/h2-3,8-12H,4-7H2,1H3,(H,22,23,27)
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n/an/an/an/a 9.10n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385211
PNG
(US10287267, Compound 443 | US10508099, Compound 44...)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1 |r,wU:3.2,wD:6.9,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.38,;5.19,-1.15,;3.85,-.38,;3.85,1.15,;5.19,1.93,;2.52,-1.15,;2.52,-2.69,;1.18,-.38,;-.15,-1.15,;-1.48,-.38,;-2.82,-1.15,;-4.15,-.38,;-5.48,-1.15,;-5.48,-2.69,;-4.15,-3.47,;-2.82,-2.69,;-1.48,-3.47,;-.15,-2.69,;-6.82,-.38,;-6.82,1.15,;-8.28,1.63,;-9.05,2.96,;-9.19,.38,;-8.28,-.86,)|
Show InChI InChI=1S/C21H26N6O/c1-26(2)18-8-6-14(7-9-18)21(28)23-20-11-17-10-15(4-5-16(17)12-22-20)19-13-27(3)25-24-19/h4-5,10-14,18H,6-9H2,1-3H3,(H,22,23,28)/t14-,18-
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n/an/an/an/a 2.20n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385212
PNG
(US10287267, Compound 448 | US10508099, Compound 44...)
Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1 |r,wU:6.5,wD:9.12,(11.19,-.9,;9.85,-.13,;8.52,-.9,;7.19,-.13,;7.19,1.41,;5.85,2.18,;4.52,1.41,;4.52,-.13,;3.19,-.9,;1.85,-.13,;1.85,1.41,;3.19,2.18,;.52,-.9,;.52,-2.44,;-.82,-.13,;-2.15,-.9,;-3.48,-.13,;-4.82,-.9,;-6.15,-.13,;-7.48,-.9,;-7.48,-2.44,;-6.15,-3.21,;-4.82,-2.44,;-3.48,-3.21,;-2.15,-2.44,;-8.82,-.13,;-8.82,1.41,;-10.28,1.88,;-11.05,3.21,;-11.19,.64,;-10.28,-.61,;8.52,2.18,;9.85,1.41,)|
Show InChI InChI=1S/C25H33N7O/c1-30-9-11-32(12-10-30)16-18-3-5-19(6-4-18)25(33)27-24-14-22-13-20(7-8-21(22)15-26-24)23-17-31(2)29-28-23/h7-8,13-15,17-19H,3-6,9-12,16H2,1-2H3,(H,26,27,33)/t18-,19-
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n/an/an/an/a 1.20n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385213
PNG
(US10287267, Compound 452 | US10508099, Compound 45...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)13-2-3-14-10-20-17(9-15(14)8-13)21-18(25)12-4-6-19-7-5-12/h2-3,8-12,19H,4-7H2,1H3,(H,20,21,25)
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n/an/an/an/a 0.400n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385214
PNG
(US10287267, Compound 468 | US10508099, Compound 46...)
Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1
Show InChI InChI=1S/C22H28N6O/c1-15(2)13-28-8-6-16(7-9-28)22(29)24-21-11-19-10-17(4-5-18(19)12-23-21)20-14-27(3)26-25-20/h4-5,10-12,14-16H,6-9,13H2,1-3H3,(H,23,24,29)
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n/an/an/an/a 4.90n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385215
PNG
(US10287267, Compound 470 | US10508099, Compound 47...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1
Show InChI InChI=1S/C23H25F3N6O/c1-31-13-19(29-30-31)16-2-3-17-12-27-20(11-18(17)10-16)28-21(33)15-4-8-32(9-5-15)14-22(6-7-22)23(24,25)26/h2-3,10-13,15H,4-9,14H2,1H3,(H,27,28,33)
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n/an/an/an/a 2.70n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385216
PNG
(US10287267, Compound 472 | US10508099, Compound 47...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(C)COC4)CC3)cc2c1
Show InChI InChI=1S/C23H28N6O2/c1-23(14-31-15-23)13-29-7-5-16(6-8-29)22(30)25-21-10-19-9-17(3-4-18(19)11-24-21)20-12-28(2)27-26-20/h3-4,9-12,16H,5-8,13-15H2,1-2H3,(H,24,25,30)
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n/an/an/an/a 3.20n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385217
PNG
(US10287267, Compound 475 | US10508099, Compound 47...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C(=O)CN3CCCC3)cc2c1
Show InChI InChI=1S/C24H29N7O2/c1-29-15-21(27-28-29)18-4-5-19-14-25-22(13-20(19)12-18)26-24(33)17-6-10-31(11-7-17)23(32)16-30-8-2-3-9-30/h4-5,12-15,17H,2-3,6-11,16H2,1H3,(H,25,26,33)
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n/an/an/an/a 3.20n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385218
PNG
(US10287267, Compound 477 | US10508099, Compound 47...)
Show SMILES CN1CCC(CC1)N1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1
Show InChI InChI=1S/C24H31N7O/c1-29-9-7-21(8-10-29)31-11-5-17(6-12-31)24(32)26-23-14-20-13-18(3-4-19(20)15-25-23)22-16-30(2)28-27-22/h3-4,13-17,21H,5-12H2,1-2H3,(H,25,26,32)
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n/an/an/an/a 1.10n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1 |r|
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
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n/an/an/an/a 4.30n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385220
PNG
(US10287267, Compound 483 | US10508099, Compound 48...)
Show SMILES CC(C)CN1CCC[C@H](C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1 |r|
Show InChI InChI=1S/C22H28N6O/c1-15(2)12-28-8-4-5-18(13-28)22(29)24-21-10-19-9-16(6-7-17(19)11-23-21)20-14-27(3)26-25-20/h6-7,9-11,14-15,18H,4-5,8,12-13H2,1-3H3,(H,23,24,29)/t18-/m1/s1
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n/an/an/an/a 11.3n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385221
PNG
(US10287267, Compound 487 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)CN3CCCC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-23-11-16(21-22-23)13-4-5-14-10-19-17(9-15(14)8-13)20-18(25)12-24-6-2-3-7-24/h4-5,8-11H,2-3,6-7,12H2,1H3,(H,19,20,25)
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n/an/an/an/a 7.70n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM385222
PNG
(US10287267, Compound 500 | US10508099, Compound 50...)
Show SMILES CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1
Show InChI InChI=1S/C19H23N7O/c1-24-5-7-26(8-6-24)13-19(27)21-18-10-16-9-14(3-4-15(16)11-20-18)17-12-25(2)23-22-17/h3-4,9-12H,5-8,13H2,1-2H3,(H,20,21,27)
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n/an/an/an/a 10.6n/an/an/an/a



Novartis



Assay Description
Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves ...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM385334
PNG
(US10287267, Compound 1021 | US10508099, Compound 1...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12
Show InChI InChI=1S/C25H31FN6O/c1-17(2)16-31-8-5-25(26,6-9-31)24(33)30-22-12-20-11-18(3-4-19(20)13-28-22)21-14-29-23-15-27-7-10-32(21)23/h3-4,11-14,17,27H,5-10,15-16H2,1-2H3,(H,28,30,33)
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n/an/an/an/a 1.59E+3n/an/an/an/a



Novartis



Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM385335
PNG
(US10287267, Compound 1022 | US10508099, Compound 1...)
Show SMILES FCCN1CCn2ncc(c2C1)-c1ccc2cnc(NC(=O)C3CCNCC3)cc2c1
Show InChI InChI=1S/C23H27FN6O/c24-5-8-29-9-10-30-21(15-29)20(14-27-30)17-1-2-18-13-26-22(12-19(18)11-17)28-23(31)16-3-6-25-7-4-16/h1-2,11-14,16,25H,3-10,15H2,(H,26,28,31)
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n/an/an/an/a 124n/an/an/an/a



Novartis



Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM385336
PNG
(US10287267, Compound 1023 | US10508099, Compound 1...)
Show SMILES CC(C)CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn2CCN(CCF)Cc12
Show InChI InChI=1S/C27H34F2N6O/c1-19(2)17-33-8-5-27(29,6-9-33)26(36)32-25-14-22-13-20(3-4-21(22)15-30-25)23-16-31-35-12-11-34(10-7-28)18-24(23)35/h3-4,13-16,19H,5-12,17-18H2,1-2H3,(H,30,32,36)
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n/an/an/an/a 838n/an/an/an/a



Novartis



Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM385337
PNG
(US10287267, Compound 1024 | US10508099, Compound 1...)
Show SMILES CN1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn3CCN(CCF)Cc23)CC1
Show InChI InChI=1S/C24H30FN7O/c1-29-6-8-31(9-7-29)17-24(33)28-23-13-20-12-18(2-3-19(20)14-26-23)21-15-27-32-11-10-30(5-4-25)16-22(21)32/h2-3,12-15H,4-11,16-17H2,1H3,(H,26,28,33)
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n/an/an/an/a 150n/an/an/an/a



Novartis



Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM385338
PNG
(US10287267, Compound 1025 | US10508099, Compound 1...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)OC(C)(C)C)cc2c1
Show InChI InChI=1S/C18H20N4O2/c1-18(2,3)24-17(23)21-16-8-14-7-12(5-6-13(14)9-19-16)15-10-20-22(4)11-15/h5-11H,1-4H3,(H,19,21,23)
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n/an/an/an/a 100n/an/an/an/a



Novartis



Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM385339
PNG
(BDBM422318 | US10287267, Compound 1026 | US1055688...)
Show SMILES CC#CC(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C17H14N4O/c1-3-4-17(22)20-16-8-14-7-12(5-6-13(14)9-18-16)15-10-19-21(2)11-15/h5-11H,1-2H3,(H,18,20,22)
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n/an/an/an/a 508n/an/an/an/a



Novartis



Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM385340
PNG
(US10287267, Compound 1027 | US10508099, Compound 1...)
Show SMILES CN1CCC(CC1)C(=O)Nc1cc2cc(-c3cnn(C)c3)c(Cl)cc2cn1
Show InChI InChI=1S/C20H22ClN5O/c1-25-5-3-13(4-6-25)20(27)24-19-9-14-7-17(16-11-23-26(2)12-16)18(21)8-15(14)10-22-19/h7-13H,3-6H2,1-2H3,(H,22,24,27)
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n/an/an/an/a 3.07E+3n/an/an/an/a



Novartis



Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...

J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
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