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12 similar compounds to monomer 8061

Compile data set for download or QSAR
Wt: 313.3
BDBM8051
Wt: 313.3
BDBM8054
Wt: 299.3
BDBM8055
Wt: 327.3
BDBM8056
Wt: 356.4
BDBM8058
Wt: 342.3
BDBM8059
Wt: 368.4
BDBM8060
Wt: 326.4
BDBM8069
Wt: 326.4
BDBM59091
Wt: 368.4
BDBM91754
Wt: 328.3
BDBM50229973
Wt: 342.3
BDBM50431363

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 51 hits for monomerid = 8051,8054,8055,8056,8058,8059,8060,8069,59091,91754,50229973,50431363   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(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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2n/an/an/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (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
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50431363
PNG
(CHEMBL46429)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H14N6O2S/c1-9-13(24-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(8-10)21(22)23/h3-8H,1-2H3,(H,16,18)(H,17,19,20)
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2n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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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2n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


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
3D
3D Structure (crystal)
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50431363
PNG
(CHEMBL46429)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H14N6O2S/c1-9-13(24-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(8-10)21(22)23/h3-8H,1-2H3,(H,16,18)(H,17,19,20)
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3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(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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4n/an/an/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CDK9/cyclin T1 (unknown origin) using (biotinyl-Ahx-(Tyr-Ser-ProThr-Ser-Pro-Ser)4-NH2 as substrate after 45 mins by [gamma-32P]ATP base...


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 9


(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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4n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9


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 1 (CDK1)


(Homo sapiens (Human))
BDBM50431363
PNG
(CHEMBL46429)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H14N6O2S/c1-9-13(24-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(8-10)21(22)23/h3-8H,1-2H3,(H,16,18)(H,17,19,20)
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5n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK1/Cyclin B expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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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20n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM8055
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 26 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C14H13N5OS/c1-8-12(21-13(15)17-8)11-6-7-16-14(19-11)18-9-2-4-10(20)5-3-9/h2-7,20H,1H3,(H2,15,17)(H,16,18,19)
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30 -10.4n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
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
Aurora kinase B


(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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57n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B after 60 mins


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
CDK2/CycE


(Homo sapiens (Human))
BDBM8058
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 29 | N...)
Show SMILES CN(C)c1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C16H16N6O2S/c1-10-14(25-16(18-10)21(2)3)13-7-8-17-15(20-13)19-11-5-4-6-12(9-11)22(23)24/h4-9H,1-3H3,(H,17,19,20)
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60 -10.0n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM8054
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 25 | 4...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-7-8-17-14(20-12)19-10-3-5-11(21)6-4-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
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70 -9.92n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 7 (CDK7)


(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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70n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk7/cyclin H


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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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70n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK7


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
Aurora kinase A


(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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73n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A after 30 mins


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 1


(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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80n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK1


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
CDK2/CycE


(Homo sapiens (Human))
BDBM8051
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 22 | 3...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(21)8-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
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110 -9.65n/an/an/an/an/a7.430



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM8056
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 27 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
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110 -9.65n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM8060
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 31 | 4...)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
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160 -9.42n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(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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160n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Abl


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM8055
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 26 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C14H13N5OS/c1-8-12(21-13(15)17-8)11-6-7-16-14(19-11)18-9-2-4-10(20)5-3-9/h2-7,20H,1H3,(H2,15,17)(H,16,18,19)
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320 -9.00n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM8054
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 25 | 4...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-7-8-17-14(20-12)19-10-3-5-11(21)6-4-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
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320 -9.00n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM8051
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 22 | 3...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(O)c2)n1
Show InChI InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(21)8-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
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370 -8.92n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50431363
PNG
(CHEMBL46429)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H14N6O2S/c1-9-13(24-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(8-10)21(22)23/h3-8H,1-2H3,(H,16,18)(H,17,19,20)
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417n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK7/CyclinH/MAT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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700 -8.53n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
CDK2/CycE


(Homo sapiens (Human))
BDBM8059
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 30 | N...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C15H14N6O2S/c1-9-13(24-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(8-10)21(22)23/h3-8H,1-2H3,(H,16,18)(H,17,19,20)
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800 -8.45n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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900 -8.38n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM8059
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 30 | N...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C15H14N6O2S/c1-9-13(24-15(16-2)18-9)12-6-7-17-14(20-12)19-10-4-3-5-11(8-10)21(22)23/h3-8H,1-2H3,(H,16,18)(H,17,19,20)
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1.60E+3 -8.03n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM8058
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 29 | N...)
Show SMILES CN(C)c1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C16H16N6O2S/c1-10-14(25-16(18-10)21(2)3)13-7-8-17-15(20-13)19-11-5-4-6-12(9-11)22(23)24/h4-9H,1-3H3,(H,17,19,20)
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PubMed
5.30E+3 -7.31n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM8060
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 31 | 4...)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
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7.10E+3 -7.14n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM8056
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 27 | 4...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
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>2.00E+4>-6.51n/an/an/an/an/an/a30



Cyclacel Limited



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 100 uM ATP/ [gamma-32P...


J Med Chem 47: 1662-75 (2004)


Article DOI: 10.1021/jm0309957
BindingDB Entry DOI: 10.7270/Q2H993DD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM8054
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 25 | 4...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-7-8-17-14(20-12)19-10-3-5-11(21)6-4-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


Bioorg Med Chem Lett 18: 4972-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.033
BindingDB Entry DOI: 10.7270/Q26973DV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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D3R
n/an/an/an/an/a 0.0823n/an/an/a



D3R



Assay Description
OctetRed_Method3


D3R 220: (2015)


BindingDB Entry DOI: 10.7270/Q21J98M7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91754
PNG
(CS17)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
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D3R
n/an/an/an/an/a 0.00340n/an/an/a



D3R



Assay Description
OctetRed_Method3


D3R 220: (2015)


BindingDB Entry DOI: 10.7270/Q21J98M7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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D3R
n/an/an/an/an/an/a 1.00E+5n/an/a



D3R



Assay Description
OctetRed_Method3


D3R 220: (2015)


BindingDB Entry DOI: 10.7270/Q21J98M7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91754
PNG
(CS17)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
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D3R
n/an/an/an/an/an/a 1.22E+5n/an/a



D3R



Assay Description
OctetRed_Method3


D3R 220: (2015)


BindingDB Entry DOI: 10.7270/Q21J98M7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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D3R
n/an/an/a 961n/an/an/an/an/a



D3R



Assay Description
OctetRed_Method1


D3R 220: (2015)


BindingDB Entry DOI: 10.7270/Q21J98M7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91754
PNG
(CS17)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
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D3R
n/an/an/a 53.9n/an/an/an/an/a



D3R



Assay Description
OctetRed_Method1


D3R 220: (2015)


BindingDB Entry DOI: 10.7270/Q21J98M7
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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D3R
n/an/an/an/an/a 0.0100n/an/an/a



D3R



Assay Description
OctetRed_Method3


D3R 219: (2015)


BindingDB Entry DOI: 10.7270/Q25B01BH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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D3R
n/an/an/an/an/an/a 7.38E+4n/an/a



D3R



Assay Description
OctetRed_Method3


D3R 219: (2015)


BindingDB Entry DOI: 10.7270/Q25B01BH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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D3R
n/an/an/a 190n/an/an/an/an/a



D3R



Assay Description
OctetRed_Method2


D3R 219: (2015)


BindingDB Entry DOI: 10.7270/Q25B01BH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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Article
PubMed
n/an/an/a 190n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)


Article DOI: 10.1007/s10822-014-9735-1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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n/an/an/a 961n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)


Article DOI: 10.1007/s10822-012-9554-1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8069
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
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n/an/an/a 4.79E+3n/an/an/a7.525



CSAR



Assay Description
Thermofluor


CSAR 1: (2012)


Article DOI: 10.1007/s10822-012-9554-1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91754
PNG
(CS17)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
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n/an/an/a 7.50E+3n/an/an/a7.525



CSAR



Assay Description
Thermofluor


CSAR 1: (2012)


Article DOI: 10.1007/s10822-012-9554-1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM91754
PNG
(CS17)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
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n/an/an/a 54n/an/an/a7.525



CSAR



Assay Description
OctetRed


CSAR 1: (2012)


Article DOI: 10.1007/s10822-012-9554-1
More data for this
Ligand-Target Pair
G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM59091
PNG
(Aminopyrimidine, 1)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CN)c2)n1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-16(18-2)20-10)13-6-7-19-15(22-13)21-12-5-3-4-11(8-12)9-17/h3-8H,9,17H2,1-2H3,(H,18,20)(H,19,21,22)
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n/an/a 410n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Chem Biol 11: 525-34 (2004)


Article DOI: 10.1016/j.chembiol.2004.03.022
BindingDB Entry DOI: 10.7270/Q2Q23XP3
More data for this
Ligand-Target Pair
G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM59091
PNG
(Aminopyrimidine, 1)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(CN)c2)n1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-16(18-2)20-10)13-6-7-19-15(22-13)21-12-5-3-4-11(8-12)9-17/h3-8H,9,17H2,1-2H3,(H,18,20)(H,19,21,22)
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n/an/a 230n/an/an/an/an/an/a



Cyclacel Limited



Assay Description
In vitro kinase inhibition assay.


Chem Biol 11: 525-34 (2004)


Article DOI: 10.1016/j.chembiol.2004.03.022
BindingDB Entry DOI: 10.7270/Q2Q23XP3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM8055
PNG
(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 26 | 4...)
Show SMILES Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C14H13N5OS/c1-8-12(21-13(15)17-8)11-6-7-16-14(19-11)18-9-2-4-10(20)5-3-9/h2-7,20H,1H3,(H2,15,17)(H,16,18,19)
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n/an/a 2.50E+4n/an/an/an/a7.520



University of Cambridge





Nat Chem Biol 2: 608-17 (2006)


Article DOI: 10.1038/nchembio825
BindingDB Entry DOI: 10.7270/Q29C6VS4
More data for this
Ligand-Target Pair
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