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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50043377   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50440135
PNG
(CHEMBL2426395)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O3S/c1-31-20-12-8-17(9-13-20)23-22(16-29(28-23)19-6-4-3-5-7-19)24(30)27-25(33)26-18-10-14-21(32-2)15-11-18/h3-16H,1-2H3,(H2,26,27,30,33)
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n/an/a 29n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50440136
PNG
(CHEMBL2426391)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19FN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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n/an/a 33n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50440137
PNG
(CHEMBL2426387)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19ClN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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n/an/a 42n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50440138
PNG
(CHEMBL2426383)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O2S/c1-17-8-10-18(11-9-17)23-22(16-29(28-23)20-6-4-3-5-7-20)24(30)27-25(32)26-19-12-14-21(31-2)15-13-19/h3-16H,1-2H3,(H2,26,27,30,32)
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n/an/a 43n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50440139
PNG
(CHEMBL2426399)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20N4O2S/c1-30-20-14-12-18(13-15-20)25-24(31)26-23(29)21-16-28(19-10-6-3-7-11-19)27-22(21)17-8-4-2-5-9-17/h2-16H,1H3,(H2,25,26,29,31)
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n/an/a 50n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50440135
PNG
(CHEMBL2426395)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O3S/c1-31-20-12-8-17(9-13-20)23-22(16-29(28-23)19-6-4-3-5-7-19)24(30)27-25(33)26-18-10-14-21(32-2)15-11-18/h3-16H,1-2H3,(H2,26,27,30,33)
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n/an/a 522n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50440136
PNG
(CHEMBL2426391)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19FN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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n/an/a 569n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50440137
PNG
(CHEMBL2426387)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19ClN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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n/an/a 571n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50440138
PNG
(CHEMBL2426383)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O2S/c1-17-8-10-18(11-9-17)23-22(16-29(28-23)20-6-4-3-5-7-20)24(30)27-25(32)26-19-12-14-21(31-2)15-13-19/h3-16H,1-2H3,(H2,26,27,30,32)
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n/an/a 584n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50440139
PNG
(CHEMBL2426399)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20N4O2S/c1-30-20-14-12-18(13-15-20)25-24(31)26-23(29)21-16-28(19-10-6-3-7-11-19)27-22(21)17-8-4-2-5-9-17/h2-16H,1H3,(H2,25,26,29,31)
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n/an/a 610n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50440135
PNG
(CHEMBL2426395)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O3S/c1-31-20-12-8-17(9-13-20)23-22(16-29(28-23)19-6-4-3-5-7-19)24(30)27-25(33)26-18-10-14-21(32-2)15-11-18/h3-16H,1-2H3,(H2,26,27,30,33)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50440136
PNG
(CHEMBL2426391)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19FN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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n/an/a 1.18E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50440137
PNG
(CHEMBL2426387)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19ClN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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n/an/a 1.36E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50440138
PNG
(CHEMBL2426383)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O2S/c1-17-8-10-18(11-9-17)23-22(16-29(28-23)20-6-4-3-5-7-20)24(30)27-25(32)26-19-12-14-21(31-2)15-13-19/h3-16H,1-2H3,(H2,26,27,30,32)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50440135
PNG
(CHEMBL2426395)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O3S/c1-31-20-12-8-17(9-13-20)23-22(16-29(28-23)19-6-4-3-5-7-19)24(30)27-25(33)26-18-10-14-21(32-2)15-11-18/h3-16H,1-2H3,(H2,26,27,30,33)
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n/an/a 1.42E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50440139
PNG
(CHEMBL2426399)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20N4O2S/c1-30-20-14-12-18(13-15-20)25-24(31)26-23(29)21-16-28(19-10-6-3-7-11-19)27-22(21)17-8-4-2-5-9-17/h2-16H,1H3,(H2,25,26,29,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50440136
PNG
(CHEMBL2426391)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19FN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50440137
PNG
(CHEMBL2426387)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H19ClN4O2S/c1-31-20-13-11-18(12-14-20)26-24(32)27-23(30)21-15-29(19-5-3-2-4-6-19)28-22(21)16-7-9-17(25)10-8-16/h2-15H,1H3,(H2,26,27,30,32)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50440138
PNG
(CHEMBL2426383)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O2S/c1-17-8-10-18(11-9-17)23-22(16-29(28-23)20-6-4-3-5-7-20)24(30)27-25(32)26-19-12-14-21(31-2)15-13-19/h3-16H,1-2H3,(H2,26,27,30,32)
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Article
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n/an/a 1.79E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50440139
PNG
(CHEMBL2426399)
Show SMILES COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H20N4O2S/c1-30-20-14-12-18(13-15-20)25-24(31)26-23(29)21-16-28(19-10-6-3-7-11-19)27-22(21)17-8-4-2-5-9-17/h2-16H,1H3,(H2,25,26,29,31)
PDB
MMDB

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Article
PubMed
n/an/a 1.88E+3n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin) using histone H1 as substrate after 10 mins in presence of [gamma-32P]-ATP


Eur J Med Chem 68: 1-9 (2013)


Article DOI: 10.1016/j.ejmech.2013.07.003
BindingDB Entry DOI: 10.7270/Q2PK0HKH
More data for this
Ligand-Target Pair