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Compile Data Set for Download or QSAR

Found 837 hits with Last Name = 'oumata' and Initial = 'n'   
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
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526793
PNG
(CHEMBL4562323)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12
Show InChI InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)
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n/an/a 0.130n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50526804
PNG
(CHEMBL4553241)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(CO)CCNC3)nc12 |r|
Show InChI InChI=1S/C22H30N6O/c1-16(2)18-12-26-28-20(24-11-17-6-4-3-5-7-17)10-19(27-21(18)28)25-14-22(15-29)8-9-23-13-22/h3-7,10,12,16,23-24,29H,8-9,11,13-15H2,1-2H3,(H,25,27)/t22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cycE1 (unknown origin) by luciferase reporter gene assay

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526792
PNG
(CHEMBL4454044)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12
Show InChI InChI=1S/C23H33N7O/c1-16(2)19-15-25-30-21(19)26-23(31-18-10-12-29(5)13-11-18)27-22(30)24-14-17-8-6-7-9-20(17)28(3)4/h6-9,15-16,18H,10-14H2,1-5H3,(H,24,26,27)
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n/an/a<5n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526799
PNG
(CHEMBL4440386)
Show SMILES CC(C)c1cnn2c(NCc3cccc4n(C)ncc34)nc(OC3CCCNC3)nc12
Show InChI InChI=1S/C22H28N8O/c1-14(2)17-12-26-30-20(17)27-22(31-16-7-5-9-23-11-16)28-21(30)24-10-15-6-4-8-19-18(15)13-25-29(19)3/h4,6,8,12-14,16,23H,5,7,9-11H2,1-3H3,(H,24,27,28)
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n/an/a<5n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526798
PNG
(CHEMBL4552441)
Show SMILES CC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12
Show InChI InChI=1S/C21H26N8O/c1-13(2)16-12-25-29-19(16)26-21(30-15-6-4-8-22-10-15)27-20(29)23-9-14-5-3-7-18-17(14)11-24-28-18/h3,5,7,11-13,15,22H,4,6,8-10H2,1-2H3,(H,24,28)(H,23,26,27)
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n/an/a<5n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50526793
PNG
(CHEMBL4562323)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12
Show InChI InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)
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n/an/a 6.40n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50526794
PNG
(CHEMBL4303287 | US10787436, Compound I-18)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+
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n/an/a 14n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526804
PNG
(CHEMBL4553241)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(CO)CCNC3)nc12 |r|
Show InChI InChI=1S/C22H30N6O/c1-16(2)18-12-26-28-20(24-11-17-6-4-3-5-7-17)10-19(27-21(18)28)25-14-22(15-29)8-9-23-13-22/h3-7,10,12,16,23-24,29H,8-9,11,13-15H2,1-2H3,(H,25,27)/t22-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7/CycH/MAT1 (unknown origin) by luciferase reporter gene assay

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526788
PNG
(CHEMBL4471850)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(O)CCNC[C@H]3O)nc12 |r|
Show InChI InChI=1S/C22H30N6O2/c1-15(2)17-12-26-28-20(24-11-16-6-4-3-5-7-16)10-19(27-21(17)28)25-14-22(30)8-9-23-13-18(22)29/h3-7,10,12,15,18,23-24,29-30H,8-9,11,13-14H2,1-2H3,(H,25,27)/t18-,22-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7/CycH/MAT1 (unknown origin) by luciferase reporter gene assay

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50526801
PNG
(CHEMBL4474655)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r|
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin) after 4 hrs

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526803
PNG
(CHEMBL4434871 | US10870651, Compound 101)
Show SMILES CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C34H38N8O3/c1-6-29(43)35-24-17-15-23(16-18-24)32(44)37-26-14-10-13-25(19-26)36-31-27-20-42(34(2,3)30(27)39-40-31)33(45)38-28(21-41(4)5)22-11-8-7-9-12-22/h6-19,28H,1,20-21H2,2-5H3,(H,35,43)(H,37,44)(H,38,45)(H2,36,39,40)/t28-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50526791
PNG
(CHEMBL4465061)
Show SMILES Clc1cnc(NC2CCCCC2)nc1-c1c[nH]c2cccnc12
Show InChI InChI=1S/C17H18ClN5/c18-13-10-21-17(22-11-5-2-1-3-6-11)23-15(13)12-9-20-14-7-4-8-19-16(12)14/h4,7-11,20H,1-3,5-6H2,(H,21,22,23)
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n/an/a 20n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin) after 4 hrs

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526801
PNG
(CHEMBL4474655)
Show SMILES FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 |r|
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-9-22-16(23-10-4-3-7-21-8-10)24-15(12)14-11-5-1-2-6-13(11)25-26-14/h1-2,5-6,9-10,21H,3-4,7-8H2,(H,25,26)(H,22,23,24)/t10-/m0/s1
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n/an/a<20n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) after 4 hrs

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526800
PNG
(CHEMBL4533453)
Show SMILES Clc1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C17H18ClN5/c18-14-10-21-17(22-11-4-3-7-19-8-11)23-16(14)13-9-20-15-6-2-1-5-12(13)15/h1-2,5-6,9-11,19-20H,3-4,7-8H2,(H,21,22,23)/t11-/m1/s1
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Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526791
PNG
(CHEMBL4465061)
Show SMILES Clc1cnc(NC2CCCCC2)nc1-c1c[nH]c2cccnc12
Show InChI InChI=1S/C17H18ClN5/c18-13-10-21-17(22-11-5-2-1-3-6-11)23-15(13)12-9-20-14-7-4-8-19-16(12)14/h4,7-11,20H,1-3,5-6H2,(H,21,22,23)
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n/an/a 20n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) after 4 hrs

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526790
PNG
(CHEMBL4555799)
Show SMILES Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C17H18ClN5/c18-14-10-21-17(22-11-4-3-7-19-8-11)23-16(14)13-9-20-15-6-2-1-5-12(13)15/h1-2,5-6,9-11,19-20H,3-4,7-8H2,(H,21,22,23)/t11-/m0/s1
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Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)		BDBM50259589
PNG
(CHEMBL4065432)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1 |r|
Show InChI InChI=1S/C17H19N5O2/c1-2-14(11-23)20-16-6-7-17-18-10-15(22(17)21-16)13-5-3-4-12(8-13)9-19-24/h3-10,14,23-24H,2,11H2,1H3,(H,20,21)/b19-9+/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)		BDBM50259589
PNG
(CHEMBL4065432)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1 |r|
Show InChI InChI=1S/C17H19N5O2/c1-2-14(11-23)20-16-6-7-17-18-10-15(22(17)21-16)13-5-3-4-12(8-13)9-19-24/h3-10,14,23-24H,2,11H2,1H3,(H,20,21)/b19-9+/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50110178
PNG
(CHEMBL3603847 | US10787436, Compound I-23)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-15,17-19,33H,16H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b11-6+
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Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) after 4 hrs

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526794
PNG
(CHEMBL4303287 | US10787436, Compound I-18)
Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
Show InChI InChI=1S/C31H28ClN7O2/c1-39(2)15-7-14-28(40)35-21-9-5-8-20(16-21)30(41)36-22-10-6-11-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-13-4-3-12-24(25)27/h3-14,16-19,33H,15H2,1-2H3,(H,35,40)(H,36,41)(H,34,37,38)/b14-7+
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Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)		BDBM50259415
PNG
(CHEMBL4061526)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)		BDBM50259415
PNG
(CHEMBL4061526)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)		BDBM50259415
PNG
(CHEMBL4061526)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)		BDBM50259570
PNG
(CHEMBL4102871)
Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1
Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))		BDBM50259570
PNG
(CHEMBL4102871)
Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1
Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1B expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Mus musculus)		BDBM50259477
PNG
(CHEMBL4071322)
Show SMILES CCOC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
Show InChI InChI=1S/C19H22N4O3/c1-3-15(12-24)21-17-8-9-18-20-11-16(23(18)22-17)13-6-5-7-14(10-13)19(25)26-4-2/h5-11,15,24H,3-4,12H2,1-2H3,(H,21,22)/t15-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK2 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM50259335
PNG
(CHEMBL4072506)
Show SMILES COc1ccc2ncc(-c3cccc(\C=N\O)c3)n2n1
Show InChI InChI=1S/C14H12N4O2/c1-20-14-6-5-13-15-9-12(18(13)17-14)11-4-2-3-10(7-11)8-16-19/h2-9,19H,1H3/b16-8+
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))		BDBM50259477
PNG
(CHEMBL4071322)
Show SMILES CCOC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
Show InChI InChI=1S/C19H22N4O3/c1-3-15(12-24)21-17-8-9-18-20-11-16(23(18)22-17)13-6-5-7-14(10-13)19(25)26-4-2/h5-11,15,24H,3-4,12H2,1-2H3,(H,21,22)/t15-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibitory concentration against thrombin (FIIa); n=2

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)		BDBM50259477
PNG
(CHEMBL4071322)
Show SMILES CCOC(=O)c1cccc(c1)-c1cnc2ccc(N[C@@H](CC)CO)nn12 |r|
Show InChI InChI=1S/C19H22N4O3/c1-3-15(12-24)21-17-8-9-18-20-11-16(23(18)22-17)13-6-5-7-14(10-13)19(25)26-4-2/h5-11,15,24H,3-4,12H2,1-2H3,(H,21,22)/t15-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)		BDBM50259561
PNG
(CHEMBL4092673)
Show SMILES CC[C@@H](CO)N(C(C)=O)c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C20H23N5O3/c1-4-17(12-26)24(14(3)28)20-9-8-19-21-11-18(25(19)23-20)15-6-5-7-16(10-15)22-13(2)27/h5-11,17,26H,4,12H2,1-3H3,(H,22,27)/t17-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))		BDBM50259415
PNG
(CHEMBL4061526)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1B expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))		BDBM50259415
PNG
(CHEMBL4061526)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK1A expressed in Escherichia coli using woodtide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)		BDBM50259561
PNG
(CHEMBL4092673)
Show SMILES CC[C@@H](CO)N(C(C)=O)c1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C20H23N5O3/c1-4-17(12-26)24(14(3)28)20-9-8-19-21-11-18(25(19)23-20)15-6-5-7-16(10-15)22-13(2)27/h5-11,17,26H,4,12H2,1-3H3,(H,22,27)/t17-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))		BDBM50259570
PNG
(CHEMBL4102871)
Show SMILES CC(=O)Nc1cccc(Nc2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)c1
Show InChI InChI=1S/C22H20N6O2/c1-14(29)24-17-6-3-5-16(11-17)20-13-23-22-10-9-21(27-28(20)22)26-19-8-4-7-18(12-19)25-15(2)30/h3-13H,1-2H3,(H,24,29)(H,25,30)(H,26,27)
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK2 expressed in Escherichia coli using using woodtide as substrate after 30 mins by [gamma-33P]ATP base...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM50526804
PNG
(CHEMBL4553241)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(CO)CCNC3)nc12 |r|
Show InChI InChI=1S/C22H30N6O/c1-16(2)18-12-26-28-20(24-11-17-6-4-3-5-7-17)10-19(27-21(18)28)25-14-22(15-29)8-9-23-13-22/h3-7,10,12,16,23-24,29H,8-9,11,13-15H2,1-2H3,(H,25,27)/t22-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin) by luciferase reporter gene assay

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)		BDBM50259526
PNG
(CHEMBL4093104)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r|
Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)		BDBM50259467
PNG
(CHEMBL4070189)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(c3)S(C)(=O)=O)n2n1 |r|
Show InChI InChI=1S/C17H20N4O3S/c1-3-13(11-22)19-16-7-8-17-18-10-15(21(17)20-16)12-5-4-6-14(9-12)25(2,23)24/h4-10,13,22H,3,11H2,1-2H3,(H,19,20)/t13-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)		BDBM50259526
PNG
(CHEMBL4093104)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C=O)c3)n2n1 |r|
Show InChI InChI=1S/C17H18N4O2/c1-2-14(11-23)19-16-6-7-17-18-9-15(21(17)20-16)13-5-3-4-12(8-13)10-22/h3-10,14,23H,2,11H2,1H3,(H,19,20)/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7


(Homo sapiens (Human))		BDBM50526789
PNG
(CHEMBL4459754)
Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3CCNC[C@H]3O)nc12 |r|
Show InChI InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CDK7/CycH/MAT1 (unknown origin) by luciferase reporter gene assay

Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111641
BindingDB Entry DOI: 10.7270/Q24X5C86
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)		BDBM50259573
PNG
(CHEMBL4097368)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 |r|
Show InChI InChI=1S/C14H16N4OS/c1-2-11(8-19)16-13-3-4-14-15-7-12(18(14)17-13)10-5-6-20-9-10/h3-7,9,11,19H,2,8H2,1H3,(H,16,17)/t11-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)		BDBM50259527
PNG
(CHEMBL4070227)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@@H](CC)CO)c3)n2n1 |r|
Show InChI InChI=1S/C21H27N5O2/c1-3-17(13-27)22-11-15-6-5-7-16(10-15)19-12-23-21-9-8-20(25-26(19)21)24-18(4-2)14-28/h5-12,17-18,27-28H,3-4,13-14H2,1-2H3,(H,24,25)/b22-11+/t17-,18-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))		BDBM50259415
PNG
(CHEMBL4061526)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1 |r|
Show InChI InChI=1S/C18H21N5O2/c1-3-14(11-24)21-17-7-8-18-19-10-16(23(18)22-17)13-5-4-6-15(9-13)20-12(2)25/h4-10,14,24H,3,11H2,1-2H3,(H,20,25)(H,21,22)/t14-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant human DYRK2 expressed in Escherichia coli using using woodtide as substrate after 30 mins by [gamma-33P]ATP base...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)		BDBM50259413
PNG
(CHEMBL4105084)
Show SMILES CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1 |r|
Show InChI InChI=1S/C16H17ClN4O/c1-2-13(10-22)19-15-6-7-16-18-9-14(21(16)20-15)11-4-3-5-12(17)8-11/h3-9,13,22H,2,10H2,1H3,(H,19,20)/t13-/m0/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Mus musculus)		BDBM50259571
PNG
(CHEMBL4084919)
Show SMILES CC[C@H](CO)Nc1ccc2ncc(-c3cccc(\C=N\[C@H](CC)CO)c3)n2n1 |r|
Show InChI InChI=1S/C21H27N5O2/c1-3-17(13-27)22-11-15-6-5-7-16(10-15)19-12-23-21-9-8-20(25-26(19)21)24-18(4-2)14-28/h5-12,17-18,27-28H,3-4,13-14H2,1-2H3,(H,24,25)/b22-11+/t17-,18-/m1/s1
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ManRos Therapeutics, Perharidy Research Center, 29680 Roscoff, Bretagne, France; Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes, UMR-S 1022 Inserm, 4 avenue

Curated by ChEMBL


Assay Description
Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli using RS peptide as substrate after 30 mins by [gamma-33P]ATP based sci...

Eur J Med Chem 125: 696-709 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.064
BindingDB Entry DOI: 10.7270/Q2M61NPG
More data for this
Ligand-Target Pair
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