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9 similar compounds to monomer 50425004

Compile data set for download or QSAR
Wt: 460.5
BDBM81436
Wt: 446.5
BDBM81437
Wt: 522.6
BDBM50425000
Wt: 471.5
BDBM50425007
Wt: 401.4
BDBM50425010
Wt: 484.5
BDBM50443446
Wt: 478.5
BDBM50443447
Wt: 471.5
BDBM50443448
Wt: 459.5
BDBM50443450

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 81436,81437,50425000,50425007,50425010,50443446,50443447,50443448,50443450   
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
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50425007
PNG
(CHEMBL2312186)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C20H21N7O3S2/c1-13-18(31-20(22-2)24-13)17-14(11-21)12-23-19(26-17)25-15-3-5-16(6-4-15)32(28,29)27-7-9-30-10-8-27/h3-6,12H,7-10H2,1-2H3,(H,22,24)(H,23,25,26)
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3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


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
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50425010
PNG
(CHEMBL2312183)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
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4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


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


(Homo sapiens (Human))
BDBM50425010
PNG
(CHEMBL2312183)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
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4n/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
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50425010
PNG
(CHEMBL2312183)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
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6n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


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
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50425010
PNG
(CHEMBL2312183)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
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6n/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
3D
3D Structure (crystal)
Cyclin-dependent kinase 9


(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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6.70n/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 9 (CDK9)


(Homo sapiens (Human))
BDBM50425007
PNG
(CHEMBL2312186)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C20H21N7O3S2/c1-13-18(31-20(22-2)24-13)17-14(11-21)12-23-19(26-17)25-15-3-5-16(6-4-15)32(28,29)27-7-9-30-10-8-27/h3-6,12H,7-10H2,1-2H3,(H,22,24)(H,23,25,26)
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8n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


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 9


(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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8.5n/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 9 (CDK9)


(Homo sapiens (Human))
BDBM50443447
PNG
(CHEMBL3087440)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)ncc1F
Show InChI InChI=1S/C20H23FN6O3S2/c1-12-4-5-14(10-16(12)32(28,29)27-6-8-30-9-7-27)25-19-23-11-15(21)17(26-19)18-13(2)24-20(22-3)31-18/h4-5,10-11H,6-9H2,1-3H3,(H,22,24)(H,23,25,26)
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11n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50425010
PNG
(CHEMBL2312183)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
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12n/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
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50443448
PNG
(CHEMBL3087441)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C20H21N7O3S2/c1-13-18(31-20(22-2)24-13)17-14(11-21)12-23-19(26-17)25-15-4-3-5-16(10-15)32(28,29)27-6-8-30-9-7-27/h3-5,10,12H,6-9H2,1-2H3,(H,22,24)(H,23,25,26)
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14n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50443450
PNG
(CHEMBL3087443)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1C#N
Show InChI InChI=1S/C19H21N7O3S2/c1-12-17(30-19(21-2)24-12)16-13(10-20)11-22-18(26-16)25-14-5-4-6-15(9-14)31(27,28)23-7-8-29-3/h4-6,9,11,23H,7-8H2,1-3H3,(H,21,24)(H,22,25,26)
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16n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50443450
PNG
(CHEMBL3087443)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1C#N
Show InChI InChI=1S/C19H21N7O3S2/c1-12-17(30-19(21-2)24-12)16-13(10-20)11-22-18(26-16)25-14-5-4-6-15(9-14)31(27,28)23-7-8-29-3/h4-6,9,11,23H,7-8H2,1-3H3,(H,21,24)(H,22,25,26)
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22n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50443446
PNG
(CHEMBL3087439)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCN(C)CC2)ncc1C#N
Show InChI InChI=1S/C21H24N8O2S2/c1-14-19(32-21(23-2)25-14)18-15(12-22)13-24-20(27-18)26-16-5-4-6-17(11-16)33(30,31)29-9-7-28(3)8-10-29/h4-6,11,13H,7-10H2,1-3H3,(H,23,25)(H,24,26,27)
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24n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK7/Cyclin H (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(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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27n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50443450
PNG
(CHEMBL3087443)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1C#N
Show InChI InChI=1S/C19H21N7O3S2/c1-12-17(30-19(21-2)24-12)16-13(10-20)11-22-18(26-16)25-14-5-4-6-15(9-14)31(27,28)23-7-8-29-3/h4-6,9,11,23H,7-8H2,1-3H3,(H,21,24)(H,22,25,26)
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34n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50443446
PNG
(CHEMBL3087439)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCN(C)CC2)ncc1C#N
Show InChI InChI=1S/C21H24N8O2S2/c1-14-19(32-21(23-2)25-14)18-15(12-22)13-24-20(27-18)26-16-5-4-6-17(11-16)33(30,31)29-9-7-28(3)8-10-29/h4-6,11,13H,7-10H2,1-3H3,(H,23,25)(H,24,26,27)
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35n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T1 (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50443448
PNG
(CHEMBL3087441)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C20H21N7O3S2/c1-13-18(31-20(22-2)24-13)17-14(11-21)12-23-19(26-17)25-15-4-3-5-16(10-15)32(28,29)27-6-8-30-9-7-27/h3-5,10,12H,6-9H2,1-2H3,(H,22,24)(H,23,25,26)
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55n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50443448
PNG
(CHEMBL3087441)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C20H21N7O3S2/c1-13-18(31-20(22-2)24-13)17-14(11-21)12-23-19(26-17)25-15-4-3-5-16(10-15)32(28,29)27-6-8-30-9-7-27/h3-5,10,12H,6-9H2,1-2H3,(H,22,24)(H,23,25,26)
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73n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50443447
PNG
(CHEMBL3087440)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)ncc1F
Show InChI InChI=1S/C20H23FN6O3S2/c1-12-4-5-14(10-16(12)32(28,29)27-6-8-30-9-7-27)25-19-23-11-15(21)17(26-19)18-13(2)24-20(22-3)31-18/h4-5,10-11H,6-9H2,1-3H3,(H,22,24)(H,23,25,26)
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101n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50425010
PNG
(CHEMBL2312183)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1C#N
Show InChI InChI=1S/C16H15N7O2S2/c1-9-14(26-16(19-2)21-9)13-10(7-17)8-20-15(23-13)22-11-4-3-5-12(6-11)27(18,24)25/h3-6,8H,1-2H3,(H,19,21)(H2,18,24,25)(H,20,22,23)
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114n/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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50443447
PNG
(CHEMBL3087440)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)ncc1F
Show InChI InChI=1S/C20H23FN6O3S2/c1-12-4-5-14(10-16(12)32(28,29)27-6-8-30-9-7-27)25-19-23-11-15(21)17(26-19)18-13(2)24-20(22-3)31-18/h4-5,10-11H,6-9H2,1-3H3,(H,22,24)(H,23,25,26)
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130n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50443447
PNG
(CHEMBL3087440)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)ncc1F
Show InChI InChI=1S/C20H23FN6O3S2/c1-12-4-5-14(10-16(12)32(28,29)27-6-8-30-9-7-27)25-19-23-11-15(21)17(26-19)18-13(2)24-20(22-3)31-18/h4-5,10-11H,6-9H2,1-3H3,(H,22,24)(H,23,25,26)
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133n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK7/Cyclin H (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(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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150n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK7/Cyclin H (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50443450
PNG
(CHEMBL3087443)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1C#N
Show InChI InChI=1S/C19H21N7O3S2/c1-12-17(30-19(21-2)24-12)16-13(10-20)11-22-18(26-16)25-14-5-4-6-15(9-14)31(27,28)23-7-8-29-3/h4-6,9,11,23H,7-8H2,1-3H3,(H,21,24)(H,22,25,26)
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180n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK7/Cyclin H (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(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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294n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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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304n/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 1 (CDK1)


(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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357n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
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 1


(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 1


(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 2


(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 2


(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 1 (CDK1)


(Homo sapiens (Human))
BDBM50443446
PNG
(CHEMBL3087439)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCN(C)CC2)ncc1C#N
Show InChI InChI=1S/C21H24N8O2S2/c1-14-19(32-21(23-2)25-14)18-15(12-22)13-24-20(27-18)26-16-5-4-6-17(11-16)33(30,31)29-9-7-28(3)8-10-29/h4-6,11,13H,7-10H2,1-3H3,(H,23,25)(H,24,26,27)
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576n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50443446
PNG
(CHEMBL3087439)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCN(C)CC2)ncc1C#N
Show InChI InChI=1S/C21H24N8O2S2/c1-14-19(32-21(23-2)25-14)18-15(12-22)13-24-20(27-18)26-16-5-4-6-17(11-16)33(30,31)29-9-7-28(3)8-10-29/h4-6,11,13H,7-10H2,1-3H3,(H,23,25)(H,24,26,27)
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584n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (Human))
BDBM50443448
PNG
(CHEMBL3087441)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C20H21N7O3S2/c1-13-18(31-20(22-2)24-13)17-14(11-21)12-23-19(26-17)25-15-4-3-5-16(10-15)32(28,29)27-6-8-30-9-7-27/h3-5,10,12H,6-9H2,1-2H3,(H,22,24)(H,23,25,26)
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893n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of CDK7/Cyclin H (unknown origin) by radiometric assay


Eur J Med Chem 70: 447-55 (2013)


Article DOI: 10.1016/j.ejmech.2013.08.052
BindingDB Entry DOI: 10.7270/Q24J0GKS
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(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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3.47E+3n/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
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50425000
PNG
(CHEMBL2312192)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1)-c1ccccc1
Show InChI InChI=1S/C25H26N6O3S2/c1-17-8-9-19(16-21(17)36(32,33)31-12-14-34-15-13-31)28-24-27-11-10-20(29-24)23-22(30-25(26-2)35-23)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,26,30)(H,27,28,29)
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>5.00E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


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 9 (CDK9)


(Homo sapiens (Human))
BDBM50425000
PNG
(CHEMBL2312192)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1)-c1ccccc1
Show InChI InChI=1S/C25H26N6O3S2/c1-17-8-9-19(16-21(17)36(32,33)31-12-14-34-15-13-31)28-24-27-11-10-20(29-24)23-22(30-25(26-2)35-23)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,26,30)(H,27,28,29)
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6.19E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


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