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PubMed code 21627121

Compile data set for download or QSAR
Found 22 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 1 (CDK1)


(Homo sapiens (Human))
BDBM50418829
PNG
(CHEMBL1802381)
Show SMILES ClCC(=O)c1ccc2NC(=O)C(=Cc3ccc[nH]3)c2c1
Show InChI InChI=1S/C15H11ClN2O2/c16-8-14(19)9-3-4-13-11(6-9)12(15(20)18-13)7-10-2-1-5-17-10/h1-7,17H,8H2,(H,18,20)
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n/an/a 10n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Cdk1/cyclinB using histone H1 as a substrate and [gamma-32P]ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347865
PNG
(CHEMBL1802383)
Show SMILES Cc1nc[nH]c1C=C1C(=O)Nc2ccc(cc12)C(=O)CCl
Show InChI InChI=1S/C15H12ClN3O2/c1-8-13(18-7-17-8)5-11-10-4-9(14(20)6-16)2-3-12(10)19-15(11)21/h2-5,7H,6H2,1H3,(H,17,18)(H,19,21)
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n/an/a 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347864
PNG
(CHEMBL1802382)
Show SMILES ClCC(=O)c1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1
Show InChI InChI=1S/C14H10ClN3O2/c15-5-13(19)8-1-2-12-10(3-8)11(14(20)18-12)4-9-6-16-7-17-9/h1-4,6-7H,5H2,(H,16,17)(H,18,20)
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n/an/a 60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50347868
PNG
(CHEMBL1802387)
Show SMILES O=C(Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)C#C
Show InChI InChI=1S/C16H11N3O2/c1-2-15(20)18-11-5-6-14-12(9-11)13(16(21)19-14)8-10-4-3-7-17-10/h1,3-9,17H,(H,18,20)(H,19,21)/b13-8-
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n/an/a 90n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Cdk1/cyclinB using histone H1 as a substrate and [gamma-32P]ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347866
PNG
(CHEMBL1802384)
Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(=O)CCl)[nH]1
Show InChI InChI=1S/C17H16ClN3O2/c1-3-16-19-9(2)14(20-16)7-12-11-6-10(15(22)8-18)4-5-13(11)21-17(12)23/h4-7H,3,8H2,1-2H3,(H,19,20)(H,21,23)
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n/an/a 130n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347870
PNG
(CHEMBL1802869)
Show SMILES Cc1nc[nH]c1C=C1C(=O)Nc2ccc(NC(=O)C#C)cc12
Show InChI InChI=1S/C16H12N4O2/c1-3-15(21)19-10-4-5-13-11(6-10)12(16(22)20-13)7-14-9(2)17-8-18-14/h1,4-8H,2H3,(H,17,18)(H,19,21)(H,20,22)
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n/an/a 390n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347869
PNG
(CHEMBL1802388)
Show SMILES O=C(Nc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1)C#C
Show InChI InChI=1S/C15H10N4O2/c1-2-14(20)18-9-3-4-13-11(5-9)12(15(21)19-13)6-10-7-16-8-17-10/h1,3-8H,(H,16,17)(H,18,20)(H,19,21)
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n/an/a 620n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347863
PNG
(CHEMBL1802870)
Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#C)cc23)[nH]1
Show InChI InChI=1S/C18H16N4O2/c1-4-16-19-10(3)15(21-16)9-13-12-8-11(20-17(23)5-2)6-7-14(12)22-18(13)24/h2,6-9H,4H2,1,3H3,(H,19,21)(H,20,23)(H,22,24)
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n/an/a 770n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347868
PNG
(CHEMBL1802387)
Show SMILES O=C(Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)C#C
Show InChI InChI=1S/C16H11N3O2/c1-2-15(20)18-11-5-6-14-12(9-11)13(16(21)19-14)8-10-4-3-7-17-10/h1,3-9,17H,(H,18,20)(H,19,21)/b13-8-
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n/an/a 920n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347863
PNG
(CHEMBL1802870)
Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#C)cc23)[nH]1
Show InChI InChI=1S/C18H16N4O2/c1-4-16-19-10(3)15(21-16)9-13-12-8-11(20-17(23)5-2)6-7-14(12)22-18(13)24/h2,6-9H,4H2,1,3H3,(H,19,21)(H,20,23)(H,22,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of hemaggutinin epitope-tagged human Nek2 transfected tetracycline-induced in human HEK293 cells pre-incubated for 45 mins by immunoprecip...


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50347866
PNG
(CHEMBL1802384)
Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(=O)CCl)[nH]1
Show InChI InChI=1S/C17H16ClN3O2/c1-3-16-19-9(2)14(20-16)7-12-11-6-10(15(22)8-18)4-5-13(11)21-17(12)23/h4-7H,3,8H2,1-2H3,(H,19,20)(H,21,23)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Cdk1/cyclinB using histone H1 as a substrate and [gamma-32P]ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50347860
PNG
(CHEMBL1802386)
Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(C)=O)[nH]1
Show InChI InChI=1S/C17H17N3O2/c1-4-16-18-9(2)15(19-16)8-13-12-7-11(10(3)21)5-6-14(12)20-17(13)22/h5-8H,4H2,1-3H3,(H,18,19)(H,20,22)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Cdk1/cyclinB using histone H1 as a substrate and [gamma-32P]ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347867
PNG
(CHEMBL1802385)
Show SMILES CCc1nc(C)c(C=C2C(=O)N(C)c3ccc(cc23)C(=O)CCl)[nH]1
Show InChI InChI=1S/C18H18ClN3O2/c1-4-17-20-10(2)14(21-17)8-13-12-7-11(16(23)9-19)5-6-15(12)22(3)18(13)24/h5-8H,4,9H2,1-3H3,(H,20,21)
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50347867
PNG
(CHEMBL1802385)
Show SMILES CCc1nc(C)c(C=C2C(=O)N(C)c3ccc(cc23)C(=O)CCl)[nH]1
Show InChI InChI=1S/C18H18ClN3O2/c1-4-17-20-10(2)14(21-17)8-13-12-7-11(16(23)9-19)5-6-15(12)22(3)18(13)24/h5-8H,4,9H2,1-3H3,(H,20,21)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Cdk1/cyclinB using histone H1 as a substrate and [gamma-32P]ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50347862
PNG
(CHEMBL1802872)
Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#CC)cc23)[nH]1
Show InChI InChI=1S/C19H18N4O2/c1-4-6-18(24)21-12-7-8-15-13(9-12)14(19(25)23-15)10-16-11(3)20-17(5-2)22-16/h7-10H,5H2,1-3H3,(H,20,22)(H,21,24)(H,23,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Cdk1/cyclinB using histone H1 as a substrate and [gamma-32P]ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50347863
PNG
(CHEMBL1802870)
Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#C)cc23)[nH]1
Show InChI InChI=1S/C18H16N4O2/c1-4-16-19-10(3)15(21-16)9-13-12-8-11(20-17(23)5-2)6-7-14(12)22-18(13)24/h2,6-9H,4H2,1,3H3,(H,19,21)(H,20,23)(H,22,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Cdk1/cyclinB using histone H1 as a substrate and [gamma-32P]ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347861
PNG
(CHEMBL1802871)
Show SMILES CCc1nc(C)c(C=C2C(=O)N(C)c3ccc(NC(=O)C#C)cc23)[nH]1
Show InChI InChI=1S/C19H18N4O2/c1-5-17-20-11(3)15(22-17)10-14-13-9-12(21-18(24)6-2)7-8-16(13)23(4)19(14)25/h2,7-10H,5H2,1,3-4H3,(H,20,22)(H,21,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347862
PNG
(CHEMBL1802872)
Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#CC)cc23)[nH]1
Show InChI InChI=1S/C19H18N4O2/c1-4-6-18(24)21-12-7-8-15-13(9-12)14(19(25)23-15)10-16-11(3)20-17(5-2)22-16/h7-10H,5H2,1-3H3,(H,20,22)(H,21,24)(H,23,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50347863
PNG
(CHEMBL1802870)
Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(NC(=O)C#C)cc23)[nH]1
Show InChI InChI=1S/C18H16N4O2/c1-4-16-19-10(3)15(21-16)9-13-12-8-11(20-17(23)5-2)6-7-14(12)22-18(13)24/h2,6-9H,4H2,1,3H3,(H,19,21)(H,20,23)(H,22,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Plk1 using dephosphorylated alpha-casein as a substrate and [gamma-32P]ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50347860
PNG
(CHEMBL1802386)
Show SMILES CCc1nc(C)c(C=C2C(=O)Nc3ccc(cc23)C(C)=O)[nH]1
Show InChI InChI=1S/C17H17N3O2/c1-4-16-18-9(2)15(19-16)8-13-12-7-11(10(3)21)5-6-14(12)20-17(13)22/h5-8H,4H2,1-3H3,(H,18,19)(H,20,22)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Nek2 in using [gamma-32P] ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50347861
PNG
(CHEMBL1802871)
Show SMILES CCc1nc(C)c(C=C2C(=O)N(C)c3ccc(NC(=O)C#C)cc23)[nH]1
Show InChI InChI=1S/C19H18N4O2/c1-5-17-20-11(3)15(22-17)10-14-13-9-12(21-18(24)6-2)7-8-16(13)23(4)19(14)25/h2,7-10H,5H2,1,3-4H3,(H,20,22)(H,21,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human Cdk1/cyclinB using histone H1 as a substrate and [gamma-32P]ATP


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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Article
PubMed
n/an/an/a>1.00E+4n/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity to human Cdk2


J Med Chem 54: 4133-46 (2011)


Article DOI: 10.1021/jm200222m
BindingDB Entry DOI: 10.7270/Q2QC03TX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%