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14 similar compounds to monomer 50319618

Wt: 313.3
BDBM8051
Wt: 313.3
BDBM8054
Wt: 342.3
BDBM8059
Wt: 326.4
BDBM8069
Wt: 326.4
BDBM59091
Wt: 381.4
BDBM59097
Wt: 471.6
BDBM50293318
Wt: 368.4
BDBM50277583
Purchase
Wt: 423.5
BDBM50319615
Wt: 409.5
BDBM50319616
Wt: 396.5
BDBM50319617
Wt: 367.4
BDBM50319619
Wt: 395.5
BDBM50326432
Wt: 400.4
BDBM50431349

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 94 hits for monomerid = 8051,8054,8059,8069,59091,59097,50293318,50277583,50319615,50319616,50319617,50319619,50326432,50431349   
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 9 (CDK9)


(Homo sapiens (human))
BDBM50431349
PNG
(CHEMBL2348648)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1F
Show InChI InChI=1S/C19H21FN6OS/c1-12-17(28-19(21-2)23-12)16-15(20)11-22-18(25-16)24-13-4-3-5-14(10-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)(H,22,24,25)
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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 CDK9/CyclinT1 expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(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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3.80n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(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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4n/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)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(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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6n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(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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7.60n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(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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8n/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)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(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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9n/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)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(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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9.20n/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)

More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(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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9.70n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(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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12n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(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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14n/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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM50431349
PNG
(CHEMBL2348648)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1F
Show InChI InChI=1S/C19H21FN6OS/c1-12-17(28-19(21-2)23-12)16-15(20)11-22-18(25-16)24-13-4-3-5-14(10-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)(H,22,24,25)
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18n/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)

More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50431349
PNG
(CHEMBL2348648)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1F
Show InChI InChI=1S/C19H21FN6OS/c1-12-17(28-19(21-2)23-12)16-15(20)11-22-18(25-16)24-13-4-3-5-14(10-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)(H,22,24,25)
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20n/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)

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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(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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44n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of FLT3


J Med Chem 53: 4367-78 (2010)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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44n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 53: 4367-78 (2010)

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



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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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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151n/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)

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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(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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264n/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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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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297n/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)

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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320n/an/an/an/an/an/an/an/a



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)

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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370n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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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390n/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)

More data for this
Ligand-Target Pair
CDK2/CycE


(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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390n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


J Med Chem 53: 4367-78 (2010)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(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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448n/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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM50431349
PNG
(CHEMBL2348648)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1F
Show InChI InChI=1S/C19H21FN6OS/c1-12-17(28-19(21-2)23-12)16-15(20)11-22-18(25-16)24-13-4-3-5-14(10-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)(H,22,24,25)
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473n/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)

More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(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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480n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T


J Med Chem 53: 4367-78 (2010)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(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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480n/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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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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522n/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)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(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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540n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of p70S6K


J Med Chem 53: 4367-78 (2010)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(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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559n/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)

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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700n/an/an/an/an/an/an/an/a



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)

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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800n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(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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820n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of SRC


J Med Chem 53: 4367-78 (2010)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(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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851n/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)

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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900n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(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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1.04E+3n/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)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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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1.08E+3n/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)

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)

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)

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+3n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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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2.15E+3n/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)

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)

More data for this
Ligand-Target Pair
SRC


(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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2.80E+3n/an/an/an/an/an/an/an/a



Cyclacel Ltd.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 4367-78 (2010)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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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>1.00E+4n/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)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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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>1.00E+4n/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)

More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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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>1.00E+4n/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)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(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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>1.00E+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)

More data for this
Ligand-Target Pair
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