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Compile Data Set for Download or QSAR

Found 124 hits with Last Name = '?turc' and Initial = 'a'   
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 5


(Homo sapiens (Human))		BDBM50154931
PNG
(CHEMBL3775792)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(C)(C)O)nc12
Show InChI InChI=1S/C24H29N7O/c1-15(2)19-20-21(31-30-19)22(29-23(28-20)27-14-24(3,4)32)26-13-16-8-10-17(11-9-16)18-7-5-6-12-25-18/h5-12,15,32H,13-14H2,1-4H3,(H,30,31)(H2,26,27,28,29)
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n/an/a 1n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521533
PNG
(CHEMBL4540226)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12
Show InChI InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)
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Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521561
PNG
(CHEMBL4524274)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SC(C)C(C)O)nc12
Show InChI InChI=1S/C24H28N6OS/c1-14(2)20-21-22(30-29-20)23(28-24(27-21)32-16(4)15(3)31)26-13-17-8-10-18(11-9-17)19-7-5-6-12-25-19/h5-12,14-16,31H,13H2,1-4H3,(H,29,30)(H,26,27,28)
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Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521544
PNG
(CHEMBL4592599)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCO)nc12
Show InChI InChI=1S/C22H24N6OS/c1-14(2)18-19-20(28-27-18)21(26-22(25-19)30-12-11-29)24-13-15-6-8-16(9-7-15)17-5-3-4-10-23-17/h3-10,14,29H,11-13H2,1-2H3,(H,27,28)(H,24,25,26)
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Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged CDK2/Cyclin-A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate measured in presence of [gamma-3...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50154932
PNG
(CHEMBL3774632)
Show SMILES CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1S/C23H27N7O/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-15(3)31)25-13-16-7-9-17(10-8-16)18-6-4-5-11-24-18/h4-11,14-15,31H,12-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50154928
PNG
(CHEMBL3775509)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C24H27N7O/c1-16(2)20-21-22(30-29-20)23(28-24(27-21)31-11-13-32-14-12-31)26-15-17-6-8-18(9-7-17)19-5-3-4-10-25-19/h3-10,16H,11-15H2,1-2H3,(H,29,30)(H,26,27,28)
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM50521533
PNG
(CHEMBL4540226)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12
Show InChI InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/a 6n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged CDK2/Cyclin-A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate measured in presence of [gamma-3...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50154925
PNG
(CHEMBL3775470)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN)nc12
Show InChI InChI=1S/C22H26N8/c1-14(2)18-19-20(30-29-18)21(28-22(27-19)25-12-10-23)26-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,29,30)(H2,25,26,27,28)
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n/an/a 8n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50154931
PNG
(CHEMBL3775792)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(C)(C)O)nc12
Show InChI InChI=1S/C24H29N7O/c1-15(2)19-20-21(31-30-19)22(29-23(28-20)27-14-24(3,4)32)26-13-16-8-10-17(11-9-16)18-7-5-6-12-25-18/h5-12,15,32H,13-14H2,1-4H3,(H,30,31)(H2,26,27,28,29)
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50154930
PNG
(CHEMBL3774932)
Show SMILES CCC(CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1S/C24H29N7O/c1-4-18(14-32)27-24-28-21-20(15(2)3)30-31-22(21)23(29-24)26-13-16-8-10-17(11-9-16)19-7-5-6-12-25-19/h5-12,15,18,32H,4,13-14H2,1-3H3,(H,30,31)(H2,26,27,28,29)
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521543
PNG
(CHEMBL4450602)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCC(O)CO)nc12
Show InChI InChI=1S/C23H26N6O2S/c1-14(2)19-20-21(29-28-19)22(27-23(26-20)32-13-17(31)12-30)25-11-15-6-8-16(9-7-15)18-5-3-4-10-24-18/h3-10,14,17,30-31H,11-13H2,1-2H3,(H,28,29)(H,25,26,27)
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Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521534
PNG
(CHEMBL4455558)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SC[C@H](O)CN)nc12 |r|
Show InChI InChI=1S/C23H27N7OS/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)32-13-17(31)11-24)26-12-15-6-8-16(9-7-15)18-5-3-4-10-25-18/h3-10,14,17,31H,11-13,24H2,1-2H3,(H,29,30)(H,26,27,28)/t17-/m1/s1
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Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50154929
PNG
(CHEMBL3775677)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(O)CO)nc12
Show InChI InChI=1S/C23H27N7O2/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-17(32)13-31)25-11-15-6-8-16(9-7-15)18-5-3-4-10-24-18/h3-10,14,17,31-32H,11-13H2,1-2H3,(H,29,30)(H2,25,26,27,28)
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Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521542
PNG
(CHEMBL4453838)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCC(N)CN)nc12
Show InChI InChI=1S/C23H28N8S/c1-14(2)19-20-21(31-30-19)22(29-23(28-20)32-13-17(25)11-24)27-12-15-6-8-16(9-7-15)18-5-3-4-10-26-18/h3-10,14,17H,11-13,24-25H2,1-2H3,(H,30,31)(H,27,28,29)
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Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521560
PNG
(CHEMBL4555088)
Show SMILES CC(O)CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1S/C23H26N6OS/c1-14(2)19-20-21(29-28-19)22(27-23(26-20)31-13-15(3)30)25-12-16-7-9-17(10-8-16)18-6-4-5-11-24-18/h4-11,14-15,30H,12-13H2,1-3H3,(H,28,29)(H,25,26,27)
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n/an/a 12n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521541
PNG
(CHEMBL4439587)
Show SMILES CNCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1S/C23H27N7S/c1-15(2)19-20-21(30-29-19)22(28-23(27-20)31-13-12-24-3)26-14-16-7-9-17(10-8-16)18-6-4-5-11-25-18/h4-11,15,24H,12-14H2,1-3H3,(H,29,30)(H,26,27,28)
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n/an/a 13n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused CDK9 (M1 to F372 residues)/N-terminal His6-tagged cyclin T1 (M1 to K726 residues) expressed...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))		BDBM50521533
PNG
(CHEMBL4540226)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12
Show InChI InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/a 15n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-His6 fused CDK5 (M1 to P292 residues)/N-terminal His6-tagged p25 (A104 to R307 residues) e...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM6309
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50154923
PNG
(CHEMBL3775608)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(N)CO)nc12
Show InChI InChI=1S/C23H28N8O/c1-14(2)19-20-21(31-30-19)22(29-23(28-20)27-12-17(24)13-32)26-11-15-6-8-16(9-7-15)18-5-3-4-10-25-18/h3-10,14,17,32H,11-13,24H2,1-2H3,(H,30,31)(H2,26,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50154928
PNG
(CHEMBL3775509)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C24H27N7O/c1-16(2)20-21-22(30-29-20)23(28-24(27-21)31-11-13-32-14-12-31)26-15-17-6-8-18(9-7-17)19-5-3-4-10-25-19/h3-10,16H,11-15H2,1-2H3,(H,29,30)(H,26,27,28)
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n/an/a 18n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521540
PNG
(CHEMBL4457612)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCNC(N)=O)nc12
Show InChI InChI=1S/C23H26N8OS/c1-14(2)18-19-20(31-30-18)21(29-23(28-19)33-12-11-26-22(24)32)27-13-15-6-8-16(9-7-15)17-5-3-4-10-25-17/h3-10,14H,11-13H2,1-2H3,(H,30,31)(H3,24,26,32)(H,27,28,29)
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n/an/a 18n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50154925
PNG
(CHEMBL3775470)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN)nc12
Show InChI InChI=1S/C22H26N8/c1-14(2)18-19-20(30-29-18)21(28-22(27-19)25-12-10-23)26-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,29,30)(H2,25,26,27,28)
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n/an/a 18n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521559
PNG
(CHEMBL4466439)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCC3CNC(=O)O3)nc12
Show InChI InChI=1S/C24H25N7O2S/c1-14(2)19-20-21(31-30-19)22(29-23(28-20)34-13-17-12-27-24(32)33-17)26-11-15-6-8-16(9-7-15)18-5-3-4-10-25-18/h3-10,14,17H,11-13H2,1-2H3,(H,27,32)(H,30,31)(H,26,28,29)
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n/an/a 19n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521539
PNG
(CHEMBL4445057)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCC(N)=O)nc12
Show InChI InChI=1S/C23H25N7OS/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)32-12-10-18(24)31)26-13-15-6-8-16(9-7-15)17-5-3-4-11-25-17/h3-9,11,14H,10,12-13H2,1-2H3,(H2,24,31)(H,29,30)(H,26,27,28)
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n/an/a 19n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521538
PNG
(CHEMBL4451181)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCC(C)(C)N)nc12
Show InChI InChI=1S/C24H29N7S/c1-15(2)19-20-21(31-30-19)22(29-23(28-20)32-14-24(3,4)25)27-13-16-8-10-17(11-9-16)18-7-5-6-12-26-18/h5-12,15H,13-14,25H2,1-4H3,(H,30,31)(H,27,28,29)
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n/an/a 20n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521558
PNG
(CHEMBL4476075)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCCO)nc12
Show InChI InChI=1S/C23H26N6OS/c1-15(2)19-20-21(29-28-19)22(27-23(26-20)31-13-5-12-30)25-14-16-7-9-17(10-8-16)18-6-3-4-11-24-18/h3-4,6-11,15,30H,5,12-14H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/a 21n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50154929
PNG
(CHEMBL3775677)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(O)CO)nc12
Show InChI InChI=1S/C23H27N7O2/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-17(32)13-31)25-11-15-6-8-16(9-7-15)18-5-3-4-10-24-18/h3-10,14,17,31-32H,11-13H2,1-2H3,(H,29,30)(H2,25,26,27,28)
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n/an/a 21n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50154932
PNG
(CHEMBL3774632)
Show SMILES CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1S/C23H27N7O/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-15(3)31)25-13-16-7-9-17(10-8-16)18-6-4-5-11-24-18/h4-11,14-15,31H,12-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)
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n/an/a 21n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521535
PNG
(CHEMBL4436621)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCCN)nc12
Show InChI InChI=1S/C23H27N7S/c1-15(2)19-20-21(30-29-19)22(28-23(27-20)31-13-5-11-24)26-14-16-7-9-17(10-8-16)18-6-3-4-12-25-18/h3-4,6-10,12,15H,5,11,13-14,24H2,1-2H3,(H,29,30)(H,26,27,28)
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n/an/a 22n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50154926
PNG
(CHEMBL3774979)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C27H33N7O/c1-18(2)23-24-25(33-32-23)26(31-27(30-24)34-15-6-4-7-21(34)13-16-35)29-17-19-9-11-20(12-10-19)22-8-3-5-14-28-22/h3,5,8-12,14,18,21,35H,4,6-7,13,15-17H2,1-2H3,(H,32,33)(H,29,30,31)
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n/an/a 24n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9


(Homo sapiens (Human))		BDBM50521533
PNG
(CHEMBL4540226)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12
Show InChI InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/a 25n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused CDK9 (M1 to F372 residues)/N-terminal His6-tagged cyclin T1 (M1 to K726 residues) expressed...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521567
PNG
(CHEMBL4443897)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCC(N)=O)nc12
Show InChI InChI=1S/C22H23N7OS/c1-13(2)18-19-20(29-28-18)21(27-22(26-19)31-12-17(23)30)25-11-14-6-8-15(9-7-14)16-5-3-4-10-24-16/h3-10,13H,11-12H2,1-2H3,(H2,23,30)(H,28,29)(H,25,26,27)
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n/an/a 27n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521554
PNG
(CHEMBL4524174)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCNC(N)=N)nc12
Show InChI InChI=1S/C23H27N9S/c1-14(2)18-19-20(32-31-18)21(30-23(29-19)33-12-11-27-22(24)25)28-13-15-6-8-16(9-7-15)17-5-3-4-10-26-17/h3-10,14H,11-13H2,1-2H3,(H,31,32)(H4,24,25,27)(H,28,29,30)
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n/an/a 30n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521566
PNG
(CHEMBL4441727)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCC(C)(C)O)nc12
Show InChI InChI=1S/C24H28N6OS/c1-15(2)19-20-21(30-29-19)22(28-23(27-20)32-14-24(3,4)31)26-13-16-8-10-17(11-9-16)18-7-5-6-12-25-18/h5-12,15,31H,13-14H2,1-4H3,(H,29,30)(H,26,27,28)
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n/an/a 30n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50154933
PNG
(CHEMBL3775502)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCO)nc12
Show InChI InChI=1S/C22H25N7O/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)24-11-12-30)25-13-15-6-8-16(9-7-15)17-5-3-4-10-23-17/h3-10,14,30H,11-13H2,1-2H3,(H,28,29)(H2,24,25,26,27)
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n/an/a 31n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521553
PNG
(CHEMBL4471164)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCC(O)CN)nc12
Show InChI InChI=1S/C23H27N7OS/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)32-13-17(31)11-24)26-12-15-6-8-16(9-7-15)18-5-3-4-10-25-18/h3-10,14,17,31H,11-13,24H2,1-2H3,(H,29,30)(H,26,27,28)
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n/an/a 31n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521552
PNG
(CHEMBL4466975)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCn3ccnc3)nc12
Show InChI InChI=1S/C25H26N8S/c1-17(2)21-22-23(32-31-21)24(30-25(29-22)34-14-13-33-12-11-26-16-33)28-15-18-6-8-19(9-7-18)20-5-3-4-10-27-20/h3-12,16-17H,13-15H2,1-2H3,(H,31,32)(H,28,29,30)
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n/an/a 32n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50154926
PNG
(CHEMBL3774979)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCCCC1CCO
Show InChI InChI=1S/C27H33N7O/c1-18(2)23-24-25(33-32-23)26(31-27(30-24)34-15-6-4-7-21(34)13-16-35)29-17-19-9-11-20(12-10-19)22-8-3-5-14-28-22/h3,5,8-12,14,18,21,35H,4,6-7,13,15-17H2,1-2H3,(H,32,33)(H,29,30,31)
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n/an/a 37n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521565
PNG
(CHEMBL4563510)
Show SMILES CCC(O)CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1S/C24H28N6OS/c1-4-18(31)14-32-24-27-21-20(15(2)3)29-30-22(21)23(28-24)26-13-16-8-10-17(11-9-16)19-7-5-6-12-25-19/h5-12,15,18,31H,4,13-14H2,1-3H3,(H,29,30)(H,26,27,28)
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n/an/a 39n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50521537
PNG
(CHEMBL4460642)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCNC(C)=O)nc12
Show InChI InChI=1S/C24H27N7OS/c1-15(2)20-21-22(31-30-20)23(29-24(28-21)33-13-12-25-16(3)32)27-14-17-7-9-18(10-8-17)19-6-4-5-11-26-19/h4-11,15H,12-14H2,1-3H3,(H,25,32)(H,30,31)(H,27,28,29)
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n/an/a 41n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50154924
PNG
(CHEMBL3775223)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r|
Show InChI InChI=1S/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-21-9-4-3-7-19(21)27)29-15-17-10-12-18(13-11-17)20-8-5-6-14-28-20/h5-6,8,10-14,16,19,21H,3-4,7,9,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,21-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))		BDBM50521533
PNG
(CHEMBL4540226)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12
Show InChI InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27)
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n/an/a 45n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of CK1delta (unknown origin)

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))		BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50154924
PNG
(CHEMBL3775223)
Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r|
Show InChI InChI=1S/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-21-9-4-3-7-19(21)27)29-15-17-10-12-18(13-11-17)20-8-5-6-14-28-20/h5-6,8,10-14,16,19,21H,3-4,7,9,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,21-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50154935
PNG
(CHEMBL3775479)
Show SMILES CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1S/C21H22N6S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)28-3)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)
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n/an/a 48n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany AS CR

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP

Eur J Med Chem 110: 291-301 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.011
BindingDB Entry DOI: 10.7270/Q2SQ927C
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50154935
PNG
(CHEMBL3775479)
Show SMILES CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
Show InChI InChI=1S/C21H22N6S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)28-3)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)
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n/an/a 48n/an/an/an/an/an/a



Palack£ University and Institute of Experimental Botany

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in...

J Med Chem 62: 4606-4623 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00189
BindingDB Entry DOI: 10.7270/Q2G1647C
More data for this
Ligand-Target Pair
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