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Compile Data Set for Download or QSAR

Found 1252 hits Enz. Inhib. hit(s) with Target = 'CDK4'   
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 4


(Homo sapiens (human))
BDBM81430
PNG
(CDK Inhibitor, 3)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-15(17-2)19-9)12-6-7-18-14(21-12)20-10-4-3-5-11(8-10)25(16,22)23/h3-8H,1-2H3,(H,17,19)(H2,16,22,23)(H,18,20,21)
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9.10n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM8061
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 32 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
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19n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81431
PNG
(CDK Inhibitor, 4)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-10-14(25-16(17-2)20-10)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(23,24)18-3/h4-9,18H,1-3H3,(H,17,20)(H,19,21,22)
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20n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319615
PNG
(1-(4-(4-(4-(4-Methyl-2-(methylamino)thiazol-5-yl)p...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1
Show InChI InChI=1S/C21H25N7OS/c1-14-19(30-21(22-3)24-14)18-8-9-23-20(26-18)25-16-4-6-17(7-5-16)28-12-10-27(11-13-28)15(2)29/h4-9H,10-13H2,1-3H3,(H,22,24)(H,23,25,26)
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22n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319620
PNG
(CHEMBL1084715 | N-(4-(4-(2-(Ethylamino)-4-methylth...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
Show InChI InChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25)
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38n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50229973
PNG
((4-(2-Amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)
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53n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81440
PNG
(CDK Inhibitor, 13)
Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1
Show InChI InChI=1S/C16H15N5O3S/c1-9-4-5-11(8-13(9)21(23)24)18-15-17-7-6-12(19-15)14-10(2)20(3)16(22)25-14/h4-8H,1-3H3,(H,17,18,19)
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60n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81441
PNG
(CDK Inhibitor, 14)
Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(26)24(13)2)16-7-8-21-18(23-16)22-14-3-5-15(6-4-14)25-11-9-20-10-12-25/h3-8,20H,9-12H2,1-2H3,(H,21,22,23)
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68n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81433
PNG
(CDK Inhibitor, 6)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C16H17N5O2S2/c1-10-14(24-16(17-2)19-10)13-7-8-18-15(21-13)20-11-5-4-6-12(9-11)25(3,22)23/h4-9H,1-3H3,(H,17,19)(H,18,20,21)
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94n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50027825
PNG
(CHEMBL2312181)
Show SMILES CN1CCC(C1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C21H21NO5/c1-22-8-7-13(14(22)11-23)19-15(24)9-16(25)20-17(26)10-18(27-21(19)20)12-5-3-2-4-6-12/h2-6,9-10,13-14,23-25H,7-8,11H2,1H3
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<100n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human CDK4 after 30 mins by scintillation counting analysis


J Med Chem 56: 660-70 (2013)


Article DOI: 10.1021/jm301495v
BindingDB Entry DOI: 10.7270/Q28G8N18
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81439
PNG
(CDK Inhibitor, 12)
Show SMILES Cc1c(sc(=O)n1C)-c1ccnc(Nc2cccc(c2)C#N)n1
Show InChI InChI=1S/C16H13N5OS/c1-10-14(23-16(22)21(10)2)13-6-7-18-15(20-13)19-12-5-3-4-11(8-12)9-17/h3-8H,1-2H3,(H,18,19,20)
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102n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81429
PNG
(CDK Inhibitor, 2)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C16H18N6O2S2/c1-3-18-16-20-10(2)14(25-16)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(17,23)24/h4-9H,3H2,1-2H3,(H,18,20)(H2,17,23,24)(H,19,21,22)
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132n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81434
PNG
(CDK Inhibitor, 7)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
Show InChI InChI=1S/C17H19N5O2S2/c1-4-18-17-20-11(2)15(25-17)14-8-9-19-16(22-14)21-12-6-5-7-13(10-12)26(3,23)24/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21,22)
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139n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81432
PNG
(CDK Inhibitor, 5)
Show SMILES CNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1
Show InChI InChI=1S/C15H16N6O2S2/c1-9-13(24-14(16)19-9)12-6-7-18-15(21-12)20-10-4-3-5-11(8-10)25(22,23)17-2/h3-8,17H,1-2H3,(H2,16,19)(H,18,20,21)
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163n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319617
PNG
(CHEMBL1084630 | N-Ethyl-4-methyl-5-(2-(4-morpholin...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C20H24N6OS/c1-3-21-20-23-14(2)18(28-20)17-8-9-22-19(25-17)24-15-4-6-16(7-5-15)26-10-12-27-13-11-26/h4-9H,3,10-13H2,1-2H3,(H,21,23)(H,22,24,25)
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196n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81435
PNG
(CDK Inhibitor, 8)
Show SMILES CCNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1
Show InChI InChI=1S/C16H18N6O2S2/c1-3-19-26(23,24)12-6-4-5-11(9-12)21-16-18-8-7-13(22-16)14-10(2)20-15(17)25-14/h4-9,19H,3H2,1-2H3,(H2,17,20)(H,18,21,22)
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391n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81437
PNG
(CDK Inhibitor, 10)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
Show InChI InChI=1S/C19H22N6O3S2/c1-12-3-4-14(11-16(12)30(26,27)25-7-9-28-10-8-25)23-19-21-6-5-15(24-19)17-13(2)22-18(20)29-17/h3-6,11H,7-10H2,1-2H3,(H2,20,22)(H,21,23,24)
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>500n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81436
PNG
(CDK Inhibitor, 9)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
Show InChI InChI=1S/C20H24N6O3S2/c1-13-4-5-15(12-17(13)31(27,28)26-8-10-29-11-9-26)24-19-22-7-6-16(25-19)18-14(2)23-20(21-3)30-18/h4-7,12H,8-11H2,1-3H3,(H,21,23)(H,22,24,25)
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>500n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM81438
PNG
(CDK Inhibitor, 11)
Show SMILES COCCNS(=O)(=O)c1ccc(Nc2nccc(n2)-c2sc(=O)n(C)c2C)cc1
Show InChI InChI=1S/C18H21N5O4S2/c1-12-16(28-18(24)23(12)2)15-8-9-19-17(22-15)21-13-4-6-14(7-5-13)29(25,26)20-10-11-27-3/h4-9,20H,10-11H2,1-3H3,(H,19,21,22)
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>500n/an/an/an/an/an/an/an/a



Cyclacel Limited



Assay Description
Kinase assay using cyclin-dependant kinases (CDK).


Chem Biol 17: 1111-21 (2010)


Article DOI: 10.1016/j.chembiol.2010.07.016
BindingDB Entry DOI: 10.7270/Q2BV7F3Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319623
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(3,4,5-trimethoxyph...)
Show SMILES COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC
Show InChI InChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22)
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666n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319624
PNG
(Aminopyrimidine, 4 | CHEMBL1084454 | N1-(4-(2,4-Di...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1
Show InChI InChI=1S/C15H15N5S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,16H2,1-2H3,(H,17,19,20)
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807n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319625
PNG
(CHEMBL1083150 | N1-(4-(2,4-Dimethylthiazol-5-yl)py...)
Show SMILES CNc1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C16H17N5S/c1-10-15(22-11(2)19-10)14-8-9-18-16(21-14)20-13-6-4-12(17-3)5-7-13/h4-9,17H,1-3H3,(H,18,20,21)
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840n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM5931
PNG
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
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925n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human CDK4 after 30 mins by scintillation counting analysis


J Med Chem 56: 660-70 (2013)


Article DOI: 10.1021/jm301495v
BindingDB Entry DOI: 10.7270/Q28G8N18
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319627
PNG
(1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-y...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C21H24N6OS/c1-14-20(29-15(2)23-14)19-8-9-22-21(25-19)24-17-4-6-18(7-5-17)27-12-10-26(11-13-27)16(3)28/h4-9H,10-13H2,1-3H3,(H,22,24,25)
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929n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319618
PNG
(CHEMBL1084629 | N,4-Dimethyl-5-(2-(4-morpholinophe...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C19H22N6OS/c1-13-17(27-19(20-2)22-13)16-7-8-21-18(24-16)23-14-3-5-15(6-4-14)25-9-11-26-12-10-25/h3-8H,9-12H2,1-2H3,(H,20,22)(H,21,23,24)
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943n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319622
PNG
(CHEMBL1083152 | N,4-Dimethyl-5-(2-(3,4,5-trimethox...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C18H21N5O3S/c1-10-16(27-18(19-2)21-10)12-6-7-20-17(23-12)22-11-8-13(24-3)15(26-5)14(9-11)25-4/h6-9H,1-5H3,(H,19,21)(H,20,22,23)
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955n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50193090
PNG
(CHEMBL3895785)
Show SMILES COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1
Show InChI InChI=1S/C18H17FN4O3S/c1-26-17-6-4-3-5-13(17)15-10-18(21-11-20-15)22-12-7-8-14(19)16(9-12)23-27(2,24)25/h3-11,23H,1-2H3,(H,20,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


J Med Chem 59: 8667-8684 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00150
BindingDB Entry DOI: 10.7270/Q2G73GP8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50277583
PNG
(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
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1.09E+3n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319616
PNG
(1-(4-(4-(4-(2-Amino-4-methylthiazol-5-yl)pyrimidin...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C20H23N7OS/c1-13-18(29-19(21)23-13)17-7-8-22-20(25-17)24-15-3-5-16(6-4-15)27-11-9-26(10-12-27)14(2)28/h3-8H,9-12H2,1-2H3,(H2,21,23)(H,22,24,25)
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1.25E+3n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM8066
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 37 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
Show InChI InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21)
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1.50E+3n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
BindingDB Entry DOI: 10.7270/Q2BV7G9T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319619
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C19H21N5OS/c1-13-18(26-14(2)21-13)17-7-8-20-19(23-17)22-15-3-5-16(6-4-15)24-9-11-25-12-10-24/h3-8H,9-12H2,1-2H3,(H,20,22,23)
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2.17E+3n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319626
PNG
(4-(2,4-Dimethylthiazol-5-yl)-N-(4-(4-(methylsulfon...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1
Show InChI InChI=1S/C20H24N6O2S2/c1-14-19(29-15(2)22-14)18-8-9-21-20(24-18)23-16-4-6-17(7-5-16)25-10-12-26(13-11-25)30(3,27)28/h4-9H,10-13H2,1-3H3,(H,21,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50319621
PNG
(CHEMBL1086088 | N-Ethyl-4-methyl-5-(2-(3,4,5-trime...)
Show SMILES CCNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
Show InChI InChI=1S/C19H23N5O3S/c1-6-20-19-22-11(2)17(28-19)13-7-8-21-18(24-13)23-12-9-14(25-3)16(27-5)15(10-12)26-4/h7-10H,6H2,1-5H3,(H,20,22)(H,21,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK4


J Med Chem 53: 4367-78 (2010)


Article DOI: 10.1021/jm901913s
BindingDB Entry DOI: 10.7270/Q2930T9D
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132266
PNG
(US8841312, 8)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3cnc(nc3)N3CCNCC3)nc12
Show InChI InChI=1S/C22H25N9/c1-2-4-16(3-1)31-19-14-24-6-5-17(19)18-13-25-21(29-20(18)31)28-15-11-26-22(27-12-15)30-9-7-23-8-10-30/h5-6,11-14,16,23H,1-4,7-10H2,(H,25,28,29)
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n/an/a 0.130n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM50293153
PNG
(CHEMBL526110 | N-(3-nitrophenyl)-4-(pyrazolo[1,5-b...)
Show SMILES [O-][N+](=O)c1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C16H11N7O2/c24-23(25)12-4-1-3-11(9-12)20-16-17-8-6-14(21-16)13-10-19-22-15(13)5-2-7-18-22/h1-10H,(H,17,20,21)
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n/an/a 0.300n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CDK4 by radioactive glutathione plate-binding assay


Bioorg Med Chem Lett 18: 5758-62 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.069
BindingDB Entry DOI: 10.7270/Q2J67GZN
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132275
PNG
(US8841312, 17)
Show SMILES C1CN(CCN1)c1ccc(Nc2ncc3c(n2)n(-c2ccccc2)c2cnccc32)cc1
Show InChI InChI=1S/C25H23N7/c1-2-4-20(5-3-1)32-23-17-27-11-10-21(23)22-16-28-25(30-24(22)32)29-18-6-8-19(9-7-18)31-14-12-26-13-15-31/h1-11,16-17,26H,12-15H2,(H,28,29,30)
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n/an/a 0.320n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132261
PNG
(US8841312, 3)
Show SMILES C1CCC(C1)n1c2cnccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
Show InChI InChI=1S/C24H27N7/c1-2-4-19(3-1)31-22-16-26-10-9-20(22)21-15-27-24(29-23(21)31)28-17-5-7-18(8-6-17)30-13-11-25-12-14-30/h5-10,15-16,19,25H,1-4,11-14H2,(H,27,28,29)
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n/an/a 0.450n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132293
PNG
(US8841312, 36)
Show SMILES C1CCC(C1)n1c2ncccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
Show InChI InChI=1S/C24H27N7/c1-2-5-19(4-1)31-22-20(6-3-11-26-22)21-16-27-24(29-23(21)31)28-17-7-9-18(10-8-17)30-14-12-25-13-15-30/h3,6-11,16,19,25H,1-2,4-5,12-15H2,(H,27,28,29)
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n/an/a 0.830n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132263
PNG
(US8841312, 5)
Show SMILES Cc1cc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)cnc1N1CCNCC1
Show InChI InChI=1S/C24H28N8/c1-16-12-17(13-27-22(16)31-10-8-25-9-11-31)29-24-28-14-20-19-6-7-26-15-21(19)32(23(20)30-24)18-4-2-3-5-18/h6-7,12-15,18,25H,2-5,8-11H2,1H3,(H,28,29,30)
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n/an/a 0.910n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132281
PNG
(US8841312, 24)
Show SMILES C1CC2CC1CC2n1c2cnccc2c2cnc(Nc3ccc(cn3)N3CCNCC3)nc12
Show InChI InChI=1S/C25H28N8/c1-2-17-11-16(1)12-21(17)33-22-15-27-6-5-19(22)20-14-29-25(31-24(20)33)30-23-4-3-18(13-28-23)32-9-7-26-8-10-32/h3-6,13-17,21,26H,1-2,7-12H2,(H,28,29,30,31)
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n/an/a 0.940n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132311
PNG
(US8841312, 56)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)cn1
Show InChI InChI=1S/C26H32N8/c1-32(2)19-10-13-33(14-11-19)24-8-7-18(15-28-24)30-26-29-16-22-21-9-12-27-17-23(21)34(25(22)31-26)20-5-3-4-6-20/h7-9,12,15-17,19-20H,3-6,10-11,13-14H2,1-2H3,(H,29,30,31)
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n/an/a 0.970n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132399
PNG
(US8841312, 145)
Show SMILES CCN(CC)C1CCN(CC1)c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nn1
Show InChI InChI=1S/C27H35N9/c1-3-34(4-2)19-12-15-35(16-13-19)25-10-9-24(32-33-25)30-27-29-17-22-21-11-14-28-18-23(21)36(26(22)31-27)20-7-5-6-8-20/h9-11,14,17-20H,3-8,12-13,15-16H2,1-2H3,(H,29,30,31,32)
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n/an/a 1n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132406
PNG
(US8841312, 153)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c4ccnc(Cl)c4n(C4CCCC4)c3n2)nc1
Show InChI InChI=1S/C26H31ClN8/c1-33(2)17-10-13-34(14-11-17)19-7-8-22(29-15-19)31-26-30-16-21-20-9-12-28-24(27)23(20)35(25(21)32-26)18-5-3-4-6-18/h7-9,12,15-18H,3-6,10-11,13-14H2,1-2H3,(H,29,30,31,32)
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n/an/a 1n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM146964
PNG
(US8957074, 3)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC3CN4)nc2n1C1CCCCCC1
Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-11-18-14-30-27(32-24(18)35(22)20-7-5-3-4-6-8-20)31-23-10-9-17(13-29-23)25(36)34-16-19-12-21(34)15-28-19/h9-11,13-14,19-21,28H,3-8,12,15-16H2,1-2H3,(H,29,30,31,32)
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n/an/a 1n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...


US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132279
PNG
(US8841312, 21)
Show SMILES C1CCC(CC1)n1c2ccccc2c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
Show InChI InChI=1S/C26H30N6/c1-2-6-21(7-3-1)32-24-9-5-4-8-22(24)23-18-28-26(30-25(23)32)29-19-10-12-20(13-11-19)31-16-14-27-15-17-31/h4-5,8-13,18,21,27H,1-3,6-7,14-17H2,(H,28,29,30)
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n/an/a 1n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132271
PNG
(US8841312, 13)
Show SMILES CN(C)C1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C2CCCC2)c2cnccc32)nn1
Show InChI InChI=1S/C25H31N9/c1-32(2)17-10-13-33(14-11-17)23-8-7-22(30-31-23)28-25-27-15-20-19-9-12-26-16-21(19)34(24(20)29-25)18-5-3-4-6-18/h7-9,12,15-18H,3-6,10-11,13-14H2,1-2H3,(H,27,28,29,30)
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n/an/a 1n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (human))
BDBM132471
PNG
(US8841312, 220)
Show SMILES OC(=O)CN1CCN(Cc2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1
Show InChI InChI=1S/C26H30N8O2/c35-24(36)17-33-11-9-32(10-12-33)16-18-5-6-23(28-13-18)30-26-29-14-21-20-7-8-27-15-22(20)34(25(21)31-26)19-3-1-2-4-19/h5-8,13-15,19H,1-4,9-12,16-17H2,(H,35,36)(H,28,29,30,31)
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n/an/a 1n/an/an/an/a7.437



Amgen Inc.

US Patent


Assay Description
The Cdk4 and Cdk6 inhibitory activity of the compounds is measured with a kinase inhibition assay using recombinant Cdk4/CyclinD1 or Cdk6/CyclinD3 pr...


US Patent US8841312 (2014)


BindingDB Entry DOI: 10.7270/Q2H41Q4H
More data for this
Ligand-Target Pair
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