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PubMed code 28039837

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233206
PNG
(CHEMBL4059895)
Show SMILES NC(=O)c1ccc(c(O)c1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C25H19BrN6O2/c26-20-14-30-32-23(29-13-15-2-1-9-28-12-15)11-21(31-25(20)32)17-5-3-16(4-6-17)19-8-7-18(24(27)34)10-22(19)33/h1-12,14,29,33H,13H2,(H2,27,34)
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n/an/a 15n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233212
PNG
(CHEMBL4076762)
Show SMILES CCc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccc(cc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C27H24N6O/c1-2-19-17-31-33-25(30-16-18-4-3-13-29-15-18)14-24(32-27(19)33)22-9-5-20(6-10-22)21-7-11-23(12-8-21)26(28)34/h3-15,17,30H,2,16H2,1H3,(H2,28,34)
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n/an/a 18n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233207
PNG
(CHEMBL4098319)
Show SMILES CCc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccc(cc1)-c1ccc(C(N)=O)c(O)c1
Show InChI InChI=1S/C27H24N6O2/c1-2-18-16-31-33-25(30-15-17-4-3-11-29-14-17)13-23(32-27(18)33)20-7-5-19(6-8-20)21-9-10-22(26(28)35)24(34)12-21/h3-14,16,30,34H,2,15H2,1H3,(H2,28,35)
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n/an/a 31n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233211
PNG
(CHEMBL4103466)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C25H19BrN6O/c26-21-15-30-32-23(29-14-16-2-1-11-28-13-16)12-22(31-25(21)32)19-7-3-17(4-8-19)18-5-9-20(10-6-18)24(27)33/h1-13,15,29H,14H2,(H2,27,33)
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n/an/a 37n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233213
PNG
(CHEMBL4103343)
Show SMILES OCc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C25H20BrN5O/c26-22-15-29-31-24(28-14-18-2-1-11-27-13-18)12-23(30-25(22)31)21-9-7-20(8-10-21)19-5-3-17(16-32)4-6-19/h1-13,15,28,32H,14,16H2
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n/an/a 45n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233966
PNG
(CHEMBL4080296)
Show SMILES NC(=O)c1ccc(cc1O)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C25H19BrN6O2/c26-20-14-30-32-23(29-13-15-2-1-9-28-12-15)11-21(31-25(20)32)17-5-3-16(4-6-17)18-7-8-19(24(27)34)22(33)10-18/h1-12,14,29,33H,13H2,(H2,27,34)
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n/an/a 52n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233965
PNG
(CHEMBL4093993)
Show SMILES NC(=O)c1ccc(cc1CCC#N)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C28H22BrN7O/c29-24-17-34-36-26(33-16-18-3-2-12-32-15-18)14-25(35-28(24)36)20-7-5-19(6-8-20)21-9-10-23(27(31)37)22(13-21)4-1-11-30/h2-3,5-10,12-15,17,33H,1,4,16H2,(H2,31,37)
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n/an/a 53n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233967
PNG
(CHEMBL4060905)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C27H23BrN6O/c1-33(2)27(35)22-11-7-20(8-12-22)19-5-9-21(10-6-19)24-14-25(30-16-18-4-3-13-29-15-18)34-26(32-24)23(28)17-31-34/h3-15,17,30H,16H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233214
PNG
(CHEMBL4086951)
Show SMILES CCc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccc(cc1)-c1ccc(CO)cc1
Show InChI InChI=1S/C27H25N5O/c1-2-21-17-30-32-26(29-16-20-4-3-13-28-15-20)14-25(31-27(21)32)24-11-9-23(10-12-24)22-7-5-19(18-33)6-8-22/h3-15,17,29,33H,2,16,18H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233960
PNG
(CHEMBL4102397)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C24H18BrN5O/c25-21-15-28-30-23(27-14-16-2-1-11-26-13-16)12-22(29-24(21)30)19-5-3-17(4-6-19)18-7-9-20(31)10-8-18/h1-13,15,27,31H,14H2
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n/an/a 140n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233319
PNG
(CHEMBL4094653)
Show SMILES Nc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2ncc(Br)c2n1
Show InChI InChI=1S/C24H19BrN6/c25-21-15-29-31-23(28-14-16-2-1-11-27-13-16)12-22(30-24(21)31)19-5-3-17(4-6-19)18-7-9-20(26)10-8-18/h1-13,15,28H,14,26H2
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n/an/a 140n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233963
PNG
(CHEMBL4096185)
Show SMILES Brc1cnn2c(NCc3cccnc3)cc(nc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H18BrN5/c25-21-16-28-30-23(27-15-17-5-4-12-26-14-17)13-22(29-24(21)30)20-10-8-19(9-11-20)18-6-2-1-3-7-18/h1-14,16,27H,15H2
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n/an/a 490n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233210
PNG
(CHEMBL4082771)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1
Show InChI InChI=1S/C27H24N6O/c1-32(2)27(34)23-11-7-21(8-12-23)20-5-9-22(10-6-20)24-16-26(33-25(31-24)13-15-30-33)29-18-19-4-3-14-28-17-19/h3-17,29H,18H2,1-2H3
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n/an/a 1.97E+3n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233208
PNG
(CHEMBL4069574)
Show SMILES NC(=O)c1ccc(cc1O)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1
Show InChI InChI=1S/C25H20N6O2/c26-25(33)20-8-7-19(12-22(20)32)17-3-5-18(6-4-17)21-13-24(31-23(30-21)9-11-29-31)28-15-16-2-1-10-27-14-16/h1-14,28,32H,15H2,(H2,26,33)
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n/an/a 2.67E+3n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233973
PNG
(CHEMBL4104651)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1
Show InChI InChI=1S/C24H19N5O/c30-21-9-7-19(8-10-21)18-3-5-20(6-4-18)22-14-24(29-23(28-22)11-13-27-29)26-16-17-2-1-12-25-15-17/h1-15,26,30H,16H2
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n/an/a 3.86E+3n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233970
PNG
(CHEMBL4079098)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1
Show InChI InChI=1S/C25H20N6O/c26-25(32)21-9-5-19(6-10-21)18-3-7-20(8-4-18)22-14-24(31-23(30-22)11-13-29-31)28-16-17-2-1-12-27-15-17/h1-15,28H,16H2,(H2,26,32)
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n/an/a 3.94E+3n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233910
PNG
(CHEMBL4074134)
Show SMILES Nc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1
Show InChI InChI=1S/C24H20N6/c25-21-9-7-19(8-10-21)18-3-5-20(6-4-18)22-14-24(30-23(29-22)11-13-28-30)27-16-17-2-1-12-26-15-17/h1-15,27H,16,25H2
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n/an/a 4.91E+3n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50232932
PNG
(CHEMBL4088152)
Show SMILES NC(=O)c1ccc(cc1CCC#N)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1
Show InChI InChI=1S/C28H23N7O/c29-12-1-4-23-15-22(9-10-24(23)28(30)36)20-5-7-21(8-6-20)25-16-27(35-26(34-25)11-14-33-35)32-18-19-3-2-13-31-17-19/h2-3,5-11,13-17,32H,1,4,18H2,(H2,30,36)
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n/an/a 5.45E+3n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233209
PNG
(CHEMBL4090591)
Show SMILES COc1cc(ccc1C(N)=O)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1
Show InChI InChI=1S/C26H22N6O2/c1-34-23-13-20(8-9-21(23)26(27)33)18-4-6-19(7-5-18)22-14-25(32-24(31-22)10-12-30-32)29-16-17-3-2-11-28-15-17/h2-15,29H,16H2,1H3,(H2,27,33)
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n/an/a 5.53E+3n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233971
PNG
(CHEMBL4065516)
Show SMILES OCc1ccc(cc1)-c1ccc(cc1)-c1cc(NCc2cccnc2)n2nccc2n1
Show InChI InChI=1S/C25H21N5O/c31-17-18-3-5-20(6-4-18)21-7-9-22(10-8-21)23-14-25(30-24(29-23)11-13-28-30)27-16-19-2-1-12-26-15-19/h1-15,27,31H,16-17H2
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n/an/a 6.11E+3n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))		BDBM50233964
PNG
(CHEMBL4078133)
Show SMILES C(Nc1cc(nc2ccnn12)-c1ccc(cc1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H19N5/c1-2-6-19(7-3-1)20-8-10-21(11-9-20)22-15-24(29-23(28-22)12-14-27-29)26-17-18-5-4-13-25-16-18/h1-16,26H,17H2
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n/an/a 1.26E+4n/an/an/an/an/an/a



Masaryk University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...

Eur J Med Chem 126: 1118-1128 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.023
BindingDB Entry DOI: 10.7270/Q29C70PT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%