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PubMed code 12139449

Compile data set for download or QSAR
Found 114 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/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5487
PNG
(6-(cyclohex-3-en-1-ylmethoxy)-9H-purin-2-amine | C...)
Show SMILES Nc1nc(OCC2CCC=CC2)c2[nH]cnc2n1 |c:9|
Show InChI InChI=1S/C12H15N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2,(H3,13,14,15,16,17)
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5485
PNG
(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Show SMILES Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
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PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5478
PNG
(6-(3-methyl-2-methylidenebutoxy)-9H-purin-2-amine ...)
Show SMILES CC(C)C(=C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C11H15N5O/c1-6(2)7(3)4-17-10-8-9(14-5-13-8)15-11(12)16-10/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5486
PNG
(6-(cyclohex-1-en-1-ylmethoxy)-9H-purin-2-amine | C...)
Show SMILES Nc1nc(OCC2=CCCCC2)c2[nH]cnc2n1 |t:6|
Show InChI InChI=1S/C12H15N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h4,7H,1-3,5-6H2,(H3,13,14,15,16,17)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5483
PNG
(6-(cyclopentylmethoxy)-9H-purin-2-amine | CHEMBL27...)
Show SMILES Nc1nc(OCC2CCCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H15N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h6-7H,1-5H2,(H3,12,13,14,15,16)
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PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5468
PNG
(2-Amino-6-(2 -methyl)butyloxypurine | 6-(2-methylb...)
Show SMILES CCC(C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H15N5O/c1-3-6(2)4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)
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PubMed
n/an/a 1.50E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5478
PNG
(6-(3-methyl-2-methylidenebutoxy)-9H-purin-2-amine ...)
Show SMILES CC(C)C(=C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C11H15N5O/c1-6(2)7(3)4-17-10-8-9(14-5-13-8)15-11(12)16-10/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5487
PNG
(6-(cyclohex-3-en-1-ylmethoxy)-9H-purin-2-amine | C...)
Show SMILES Nc1nc(OCC2CCC=CC2)c2[nH]cnc2n1 |c:9|
Show InChI InChI=1S/C12H15N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2,(H3,13,14,15,16,17)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5485
PNG
(6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...)
Show SMILES Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
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Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5468
PNG
(2-Amino-6-(2 -methyl)butyloxypurine | 6-(2-methylb...)
Show SMILES CCC(C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H15N5O/c1-3-6(2)4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)
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PubMed
n/an/a 1.70E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5502
PNG
(6-(2,2-dimethoxybutoxy)-9H-purin-2-amine | CHEMBL4...)
Show SMILES CCC(COc1nc(N)nc2nc[nH]c12)(OC)OC
Show InChI InChI=1S/C11H17N5O3/c1-4-11(17-2,18-3)5-19-9-7-8(14-6-13-7)15-10(12)16-9/h6H,4-5H2,1-3H3,(H3,12,13,14,15,16)
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5477
PNG
(6-(2-methylidenebutoxy)-9H-purin-2-amine | CHEMBL2...)
Show SMILES CCC(=C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H13N5O/c1-3-6(2)4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5H,2-4H2,1H3,(H3,11,12,13,14,15)
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5484
PNG
(6-(cyclopent-1-en-1-ylmethoxy)-9H-purin-2-amine | ...)
Show SMILES Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6|
Show InChI InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5502
PNG
(6-(2,2-dimethoxybutoxy)-9H-purin-2-amine | CHEMBL4...)
Show SMILES CCC(COc1nc(N)nc2nc[nH]c12)(OC)OC
Show InChI InChI=1S/C11H17N5O3/c1-4-11(17-2,18-3)5-19-9-7-8(14-6-13-7)15-10(12)16-9/h6H,4-5H2,1-3H3,(H3,12,13,14,15,16)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5483
PNG
(6-(cyclopentylmethoxy)-9H-purin-2-amine | CHEMBL27...)
Show SMILES Nc1nc(OCC2CCCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H15N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h6-7H,1-5H2,(H3,12,13,14,15,16)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5477
PNG
(6-(2-methylidenebutoxy)-9H-purin-2-amine | CHEMBL2...)
Show SMILES CCC(=C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H13N5O/c1-3-6(2)4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5H,2-4H2,1H3,(H3,11,12,13,14,15)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5469
PNG
(6-(3-methylbutoxy)-9H-purin-2-amine | CHEMBL269872...)
Show SMILES CC(C)CCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H15N5O/c1-6(2)3-4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)
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n/an/a 2.10E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5486
PNG
(6-(cyclohex-1-en-1-ylmethoxy)-9H-purin-2-amine | C...)
Show SMILES Nc1nc(OCC2=CCCCC2)c2[nH]cnc2n1 |t:6|
Show InChI InChI=1S/C12H15N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h4,7H,1-3,5-6H2,(H3,13,14,15,16,17)
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PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5491
PNG
(6-(benzyloxy)-9H-purin-2-amine | CHEMBL407874 | O6...)
Show SMILES Nc1nc(OCc2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
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PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5466
PNG
(2-Amino-6-(1¢-methyl)propyloxypurine | 6-(butan-2...)
Show SMILES CCC(C)Oc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H13N5O/c1-3-5(2)15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14)
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PubMed
n/an/a 2.50E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5479
PNG
(6-[(2-phenylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...)
Show SMILES Nc1nc(OCC(=C)c2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H13N5O/c1-9(10-5-3-2-4-6-10)7-20-13-11-12(17-8-16-11)18-14(15)19-13/h2-6,8H,1,7H2,(H3,15,16,17,18,19)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5469
PNG
(6-(3-methylbutoxy)-9H-purin-2-amine | CHEMBL269872...)
Show SMILES CC(C)CCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H15N5O/c1-6(2)3-4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)
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n/an/a 2.60E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5466
PNG
(2-Amino-6-(1¢-methyl)propyloxypurine | 6-(butan-2...)
Show SMILES CCC(C)Oc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H13N5O/c1-3-5(2)15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14)
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n/an/a 2.70E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5484
PNG
(6-(cyclopent-1-en-1-ylmethoxy)-9H-purin-2-amine | ...)
Show SMILES Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6|
Show InChI InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5462
PNG
(6-butoxy-9H-purin-2-amine | CHEMBL270946 | O6-Subs...)
Show SMILES CCCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H13N5O/c1-2-3-4-15-8-6-7(12-5-11-6)13-9(10)14-8/h5H,2-4H2,1H3,(H3,10,11,12,13,14)
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n/an/a 3.20E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5476
PNG
(6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...)
Show SMILES CC(=C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H11N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4H,1,3H2,2H3,(H3,10,11,12,13,14)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5501
PNG
(6-(2,2-diethoxypropoxy)-9H-purin-2-amine | CHEMBL4...)
Show SMILES CCOC(C)(COc1nc(N)nc2nc[nH]c12)OCC
Show InChI InChI=1S/C12H19N5O3/c1-4-19-12(3,20-5-2)6-18-10-8-9(15-7-14-8)16-11(13)17-10/h7H,4-6H2,1-3H3,(H3,13,14,15,16,17)
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5479
PNG
(6-[(2-phenylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...)
Show SMILES Nc1nc(OCC(=C)c2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H13N5O/c1-9(10-5-3-2-4-6-10)7-20-13-11-12(17-8-16-11)18-14(15)19-13/h2-6,8H,1,7H2,(H3,15,16,17,18,19)
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5491
PNG
(6-(benzyloxy)-9H-purin-2-amine | CHEMBL407874 | O6...)
Show SMILES Nc1nc(OCc2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5476
PNG
(6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...)
Show SMILES CC(=C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H11N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4H,1,3H2,2H3,(H3,10,11,12,13,14)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5501
PNG
(6-(2,2-diethoxypropoxy)-9H-purin-2-amine | CHEMBL4...)
Show SMILES CCOC(C)(COc1nc(N)nc2nc[nH]c12)OCC
Show InChI InChI=1S/C12H19N5O3/c1-4-19-12(3,20-5-2)6-18-10-8-9(15-7-14-8)16-11(13)17-10/h7H,4-6H2,1-3H3,(H3,13,14,15,16,17)
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5490
PNG
(2-Amino-6-(2-cyclohexyl)ethoxypurine | 6-(2-cycloh...)
Show SMILES Nc1nc(OCCC2CCCCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C13H19N5O/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H3,14,15,16,17,18)
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5463
PNG
(6-(pentyloxy)-9H-purin-2-amine | CHEMBL406495 | O6...)
Show SMILES CCCCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H15N5O/c1-2-3-4-5-16-9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
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n/an/a 3.70E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5507
PNG
(6-{[2-(propan-2-yl)-1,3-dioxolan-2-yl]methoxy}-9H-...)
Show SMILES CC(C)C1(COc2nc(N)nc3nc[nH]c23)OCCO1
Show InChI InChI=1S/C12H17N5O3/c1-7(2)12(19-3-4-20-12)5-18-10-8-9(15-6-14-8)16-11(13)17-10/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16,17)
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5473
PNG
(6-(hex-5-en-1-yloxy)-9H-purin-2-amine | O6-Substit...)
Show SMILES Nc1nc(OCCCCC=C)c2[nH]cnc2n1
Show InChI InChI=1S/C11H15N5O/c1-2-3-4-5-6-17-10-8-9(14-7-13-8)15-11(12)16-10/h2,7H,1,3-6H2,(H3,12,13,14,15,16)
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5467
PNG
(2-Amino-6-(2¿¿¿¿-methyl)propyloxypurine | 2-Amino-...)
Show SMILES CC(C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H13N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14)
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n/an/a 4.20E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5490
PNG
(2-Amino-6-(2-cyclohexyl)ethoxypurine | 6-(2-cycloh...)
Show SMILES Nc1nc(OCCC2CCCCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C13H19N5O/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H3,14,15,16,17,18)
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5467
PNG
(2-Amino-6-(2¿¿¿¿-methyl)propyloxypurine | 2-Amino-...)
Show SMILES CC(C)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H13N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14)
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n/an/a 4.50E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5473
PNG
(6-(hex-5-en-1-yloxy)-9H-purin-2-amine | O6-Substit...)
Show SMILES Nc1nc(OCCCCC=C)c2[nH]cnc2n1
Show InChI InChI=1S/C11H15N5O/c1-2-3-4-5-6-17-10-8-9(14-7-13-8)15-11(12)16-10/h2,7H,1,3-6H2,(H3,12,13,14,15,16)
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n/an/a 4.70E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5462
PNG
(6-butoxy-9H-purin-2-amine | CHEMBL270946 | O6-Subs...)
Show SMILES CCCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C9H13N5O/c1-2-3-4-15-8-6-7(12-5-11-6)13-9(10)14-8/h5H,2-4H2,1H3,(H3,10,11,12,13,14)
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n/an/a 4.80E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5463
PNG
(6-(pentyloxy)-9H-purin-2-amine | CHEMBL406495 | O6...)
Show SMILES CCCCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H15N5O/c1-2-3-4-5-16-9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15)
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n/an/a 4.90E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5496
PNG
(6-(2-phenylethoxy)-9H-purin-2-amine | CHEMBL446625...)
Show SMILES Nc1nc(OCCc2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C13H13N5O/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)
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n/an/a 5.90E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5464
PNG
(6-(heptyloxy)-9H-purin-2-amine | CHEMBL270945 | O6...)
Show SMILES CCCCCCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C12H19N5O/c1-2-3-4-5-6-7-18-11-9-10(15-8-14-9)16-12(13)17-11/h8H,2-7H2,1H3,(H3,13,14,15,16,17)
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n/an/a 6.20E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5496
PNG
(6-(2-phenylethoxy)-9H-purin-2-amine | CHEMBL446625...)
Show SMILES Nc1nc(OCCc2ccccc2)c2[nH]cnc2n1
Show InChI InChI=1S/C13H13N5O/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5507
PNG
(6-{[2-(propan-2-yl)-1,3-dioxolan-2-yl]methoxy}-9H-...)
Show SMILES CC(C)C1(COc2nc(N)nc3nc[nH]c23)OCCO1
Show InChI InChI=1S/C12H17N5O3/c1-7(2)12(19-3-4-20-12)5-18-10-8-9(15-6-14-8)16-11(13)17-10/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16,17)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5461
PNG
(6-propoxy-9H-purin-2-amine | CHEMBL272692 | O6-Sub...)
Show SMILES CCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C8H11N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h4H,2-3H2,1H3,(H3,9,10,11,12,13)
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n/an/a 6.70E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5475
PNG
(6-(prop-2-en-1-yloxy)-9H-purin-2-amine | CHEMBL325...)
Show SMILES Nc1nc(OCC=C)c2[nH]cnc2n1
Show InChI InChI=1S/C8H9N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h2,4H,1,3H2,(H3,9,10,11,12,13)
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n/an/a 6.80E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5474
PNG
(6-[(3E)-hex-3-en-1-yloxy]-9H-purin-2-amine | O6-Su...)
Show SMILES CC\C=C\CCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C11H15N5O/c1-2-3-4-5-6-17-10-8-9(14-7-13-8)15-11(12)16-10/h3-4,7H,2,5-6H2,1H3,(H3,12,13,14,15,16)/b4-3+
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5465
PNG
(2-Amino-6-prop-2-yloxypurine | 6-(propan-2-yloxy)-...)
Show SMILES CC(C)Oc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C8H11N5O/c1-4(2)14-7-5-6(11-3-10-5)12-8(9)13-7/h3-4H,1-2H3,(H3,9,10,11,12,13)
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n/an/a 7.50E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5465
PNG
(2-Amino-6-prop-2-yloxypurine | 6-(propan-2-yloxy)-...)
Show SMILES CC(C)Oc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C8H11N5O/c1-4(2)14-7-5-6(11-3-10-5)12-8(9)13-7/h3-4H,1-2H3,(H3,9,10,11,12,13)
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n/an/a 7.50E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5461
PNG
(6-propoxy-9H-purin-2-amine | CHEMBL272692 | O6-Sub...)
Show SMILES CCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C8H11N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h4H,2-3H2,1H3,(H3,9,10,11,12,13)
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n/an/a 7.50E+4n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5474
PNG
(6-[(3E)-hex-3-en-1-yloxy]-9H-purin-2-amine | O6-Su...)
Show SMILES CC\C=C\CCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C11H15N5O/c1-2-3-4-5-6-17-10-8-9(14-7-13-8)15-11(12)16-10/h3-4,7H,2,5-6H2,1H3,(H3,12,13,14,15,16)/b4-3+
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n/an/a 7.60E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5475
PNG
(6-(prop-2-en-1-yloxy)-9H-purin-2-amine | CHEMBL325...)
Show SMILES Nc1nc(OCC=C)c2[nH]cnc2n1
Show InChI InChI=1S/C8H9N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h2,4H,1,3H2,(H3,9,10,11,12,13)
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n/an/a 7.80E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5472
PNG
(6-(prop-2-yn-1-yloxy)-9H-purin-2-amine | CHEMBL270...)
Show SMILES Nc1nc(OCC#C)c2[nH]cnc2n1
Show InChI InChI=1S/C8H7N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h1,4H,3H2,(H3,9,10,11,12,13)
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5472
PNG
(6-(prop-2-yn-1-yloxy)-9H-purin-2-amine | CHEMBL270...)
Show SMILES Nc1nc(OCC#C)c2[nH]cnc2n1
Show InChI InChI=1S/C8H7N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h1,4H,3H2,(H3,9,10,11,12,13)
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n/an/a 9.10E+4n/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5464
PNG
(6-(heptyloxy)-9H-purin-2-amine | CHEMBL270945 | O6...)
Show SMILES CCCCCCCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C12H19N5O/c1-2-3-4-5-6-7-18-11-9-10(15-8-14-9)16-12(13)17-11/h8H,2-7H2,1H3,(H3,13,14,15,16,17)
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n/an/a>1.00E+5n/an/an/an/a7.530



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5506
PNG
(2-Amino-6-[(S)-2 ,2 -dimethyl-1 ,3 -dioxolane-5 -y...)
Show SMILES CC1(C)OC[C@H](COc2nc(N)nc3nc[nH]c23)O1 |r|
Show InChI InChI=1S/C11H15N5O3/c1-11(2)18-4-6(19-11)3-17-9-7-8(14-5-13-7)15-10(12)16-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)/t6-/m0/s1
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5503
PNG
(2-Amino-6-(2 -tetrahydrofuranyl)methoxypurine | 6-...)
Show SMILES Nc1nc(OCC2CCCO2)c2[nH]cnc2n1
Show InChI InChI=1S/C10H13N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h5-6H,1-4H2,(H3,11,12,13,14,15)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5471
PNG
(6-ethoxy-9H-purin-2-amine | CHEMBL406419 | O6-Subs...)
Show SMILES CCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C7H9N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3H,2H2,1H3,(H3,8,9,10,11,12)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5480
PNG
(2-Amino-6-(2 -cyclohexylidenethoxy)]purine | 6-(2-...)
Show SMILES Nc1nc(OCC=C2CCCCC2)c2[nH]cnc2n1 |(-4.42,.15,;-3.08,.92,;-3.08,2.46,;-1.75,3.23,;-1.73,4.77,;-3.07,5.54,;-4.4,4.77,;-5.74,5.54,;-5.71,7.08,;-7.03,7.87,;-8.38,7.12,;-8.4,5.58,;-7.08,4.79,;-.47,2.46,;.99,2.94,;1.9,1.69,;.99,.45,;-.47,.92,;-1.75,.15,)|
Show InChI InChI=1S/C13H17N5O/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h6,8H,1-5,7H2,(H3,14,15,16,17,18)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5481
PNG
(1-[(2-amino-9H-purin-6-yl)oxy]propan-2-one | CHEMB...)
Show SMILES CC(=O)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C8H9N5O2/c1-4(14)2-15-7-5-6(11-3-10-5)12-8(9)13-7/h3H,2H2,1H3,(H3,9,10,11,12,13)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5482
PNG
(1-[(2-amino-9H-purin-6-yl)oxy]-3-methylbutan-2-one...)
Show SMILES CC(C)C(=O)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H13N5O2/c1-5(2)6(16)3-17-9-7-8(13-4-12-7)14-10(11)15-9/h4-5H,3H2,1-2H3,(H3,11,12,13,14,15)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5505
PNG
(2-Amino-6-[(R)-2 ,2 -dimethyl-1 ,3 -dioxolane-5 -y...)
Show SMILES CC1(C)OC[C@@H](COc2nc(N)nc3nc[nH]c23)O1 |r|
Show InChI InChI=1S/C11H15N5O3/c1-11(2)18-4-6(19-11)3-17-9-7-8(14-5-13-7)15-10(12)16-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)/t6-/m1/s1
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5508
PNG
(2-Amino-6-(cyclohexylidin-2-yl)methoxypurine | 6-[...)
Show SMILES Nc1nc(OC[C@@H]2COC3(CCCCC3)O2)c2[nH]cnc2n1 |r|
Show InChI InChI=1S/C14H19N5O3/c15-13-18-11-10(16-8-17-11)12(19-13)20-6-9-7-21-14(22-9)4-2-1-3-5-14/h8-9H,1-7H2,(H3,15,16,17,18,19)/t9-/m1/s1
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5509
PNG
(2-Amino-6-(2 -tetrahydropyranyl)methoxypurine | 6-...)
Show SMILES Nc1nc(OCC2CCCCO2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H15N5O2/c12-11-15-9-8(13-6-14-9)10(16-11)18-5-7-3-1-2-4-17-7/h6-7H,1-5H2,(H3,12,13,14,15,16)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5480
PNG
(2-Amino-6-(2 -cyclohexylidenethoxy)]purine | 6-(2-...)
Show SMILES Nc1nc(OCC=C2CCCCC2)c2[nH]cnc2n1 |(-4.42,.15,;-3.08,.92,;-3.08,2.46,;-1.75,3.23,;-1.73,4.77,;-3.07,5.54,;-4.4,4.77,;-5.74,5.54,;-5.71,7.08,;-7.03,7.87,;-8.38,7.12,;-8.4,5.58,;-7.08,4.79,;-.47,2.46,;.99,2.94,;1.9,1.69,;.99,.45,;-.47,.92,;-1.75,.15,)|
Show InChI InChI=1S/C13H17N5O/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h6,8H,1-5,7H2,(H3,14,15,16,17,18)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5494
PNG
(2-Amino-6-(3 -chlorobenzyl)oxypurine | 6-[(3-chlor...)
Show SMILES Nc1nc(OCc2cccc(Cl)c2)c2[nH]cnc2n1
Show InChI InChI=1S/C12H10ClN5O/c13-8-3-1-2-7(4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H3,14,15,16,17,18)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5493
PNG
(2-Amino-6-(3 -aminobenzyl)oxypurine | 6-[(3-aminop...)
Show SMILES Nc1cccc(COc2nc(N)nc3nc[nH]c23)c1
Show InChI InChI=1S/C12H12N6O/c13-8-3-1-2-7(4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5,13H2,(H3,14,15,16,17,18)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5494
PNG
(2-Amino-6-(3 -chlorobenzyl)oxypurine | 6-[(3-chlor...)
Show SMILES Nc1nc(OCc2cccc(Cl)c2)c2[nH]cnc2n1
Show InChI InChI=1S/C12H10ClN5O/c13-8-3-1-2-7(4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H3,14,15,16,17,18)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5499
PNG
(2-Amino-6-(2 ,3 -dihydroxy)propoxyguanine | 3-[(2-...)
Show SMILES Nc1nc(OCC(O)CO)c2[nH]cnc2n1
Show InChI InChI=1S/C8H11N5O3/c9-8-12-6-5(10-3-11-6)7(13-8)16-2-4(15)1-14/h3-4,14-15H,1-2H2,(H3,9,10,11,12,13)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5508
PNG
(2-Amino-6-(cyclohexylidin-2-yl)methoxypurine | 6-[...)
Show SMILES Nc1nc(OC[C@@H]2COC3(CCCCC3)O2)c2[nH]cnc2n1 |r|
Show InChI InChI=1S/C14H19N5O3/c15-13-18-11-10(16-8-17-11)12(19-13)20-6-9-7-21-14(22-9)4-2-1-3-5-14/h8-9H,1-7H2,(H3,15,16,17,18,19)/t9-/m1/s1
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5510
PNG
(6-({4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatric...)
Show SMILES CC1(C)OC2OC(COc3nc(N)nc4nc[nH]c34)C3OC(C)(C)OC3C2O1
Show InChI InChI=1S/C17H23N5O6/c1-16(2)25-9-7(24-14-11(10(9)26-16)27-17(3,4)28-14)5-23-13-8-12(20-6-19-8)21-15(18)22-13/h6-7,9-11,14H,5H2,1-4H3,(H3,18,19,20,21,22)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5515
PNG
((5R)-5-{[(2-amino-9H-purin-6-yl)oxy]methyl}pyrroli...)
Show SMILES Nc1nc(OC[C@H]2CCC(=O)N2)c2[nH]cnc2n1 |r|
Show InChI InChI=1S/C10H12N6O2/c11-10-15-8-7(12-4-13-8)9(16-10)18-3-5-1-2-6(17)14-5/h4-5H,1-3H2,(H,14,17)(H3,11,12,13,15,16)/t5-/m1/s1
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5517
PNG
(2-Amino-6-(3 -pyridyl)methoxypurine | 6-(pyridin-3...)
Show SMILES Nc1nc(OCc2cccnc2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H10N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-2-1-3-13-4-7/h1-4,6H,5H2,(H3,12,14,15,16,17)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5495
PNG
(2-Amino-6-(3 -methoxybenzyl)oxypurine | 6-[(3-meth...)
Show SMILES COc1cccc(COc2nc(N)nc3nc[nH]c23)c1
Show InChI InChI=1S/C13H13N5O2/c1-19-9-4-2-3-8(5-9)6-20-12-10-11(16-7-15-10)17-13(14)18-12/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5492
PNG
(2-Amino-6-(3 -methylbenzyl)oxypurine | 6-[(3-methy...)
Show SMILES Cc1cccc(COc2nc(N)nc3nc[nH]c23)c1
Show InChI InChI=1S/C13H13N5O/c1-8-3-2-4-9(5-8)6-19-12-10-11(16-7-15-10)17-13(14)18-12/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5503
PNG
(2-Amino-6-(2 -tetrahydrofuranyl)methoxypurine | 6-...)
Show SMILES Nc1nc(OCC2CCCO2)c2[nH]cnc2n1
Show InChI InChI=1S/C10H13N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h5-6H,1-4H2,(H3,11,12,13,14,15)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5504
PNG
(6-({6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-...)
Show SMILES COC1OC(COc2nc(N)nc3nc[nH]c23)C2OC(C)(C)OC12
Show InChI InChI=1S/C14H19N5O5/c1-14(2)23-8-6(22-12(20-3)9(8)24-14)4-21-11-7-10(17-5-16-7)18-13(15)19-11/h5-6,8-9,12H,4H2,1-3H3,(H3,15,16,17,18,19)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5505
PNG
(2-Amino-6-[(R)-2 ,2 -dimethyl-1 ,3 -dioxolane-5 -y...)
Show SMILES CC1(C)OC[C@@H](COc2nc(N)nc3nc[nH]c23)O1 |r|
Show InChI InChI=1S/C11H15N5O3/c1-11(2)18-4-6(19-11)3-17-9-7-8(14-5-13-7)15-10(12)16-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)/t6-/m1/s1
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5511
PNG
(2-Amino-6-[1 ,4 -benzodioxan-2 -yl]methoxypurine |...)
Show SMILES Nc1nc(OCC2COc3ccccc3O2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H13N5O3/c15-14-18-12-11(16-7-17-12)13(19-14)21-6-8-5-20-9-3-1-2-4-10(9)22-8/h1-4,7-8H,5-6H2,(H3,15,16,17,18,19)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5513
PNG
(2-Amino-6-(piperidin-3 -ylmethyl)oxypurine | 6-(pi...)
Show SMILES Nc1nc(OCC2CCNCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H16N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-1-3-13-4-2-7/h6-7,13H,1-5H2,(H3,12,14,15,16,17)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5471
PNG
(6-ethoxy-9H-purin-2-amine | CHEMBL406419 | O6-Subs...)
Show SMILES CCOc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C7H9N5O/c1-2-13-6-4-5(10-3-9-4)11-7(8)12-6/h3H,2H2,1H3,(H3,8,9,10,11,12)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5470
PNG
(6-methoxy-9H-purin-2-amine | CHEMBL226395 | O6-Sub...)
Show SMILES COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5488
PNG
(6-{[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]meth...)
Show SMILES CC(=C)[C@H]1CCC(COc2nc(N)nc3nc[nH]c23)=CC1 |r,c:20|
Show InChI InChI=1S/C15H19N5O/c1-9(2)11-5-3-10(4-6-11)7-21-14-12-13(18-8-17-12)19-15(16)20-14/h3,8,11H,1,4-7H2,2H3,(H3,16,17,18,19,20)/t11-/m1/s1
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5489
PNG
(2-Amino-6-adamantylmethoxypurine | 6-(adamantan-1-...)
Show SMILES Nc1nc(OCC23CC4CC(CC(C4)C2)C3)c2[nH]cnc2n1 |TLB:13:8:15:14.12.11,13:12:15:7.8.9,THB:11:10:7:14.12.13,11:12:7:15.10.9|
Show InChI InChI=1S/C16H21N5O/c17-15-20-13-12(18-8-19-13)14(21-15)22-7-16-4-9-1-10(5-16)3-11(2-9)6-16/h8-11H,1-7H2,(H3,17,18,19,20,21)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5497
PNG
(2-Amino-6-(2 -naphthyl)methoxypurine | 6-(naphthal...)
Show SMILES Nc1nc(OCc2ccc3ccccc3c2)c2[nH]cnc2n1
Show InChI InChI=1S/C16H13N5O/c17-16-20-14-13(18-9-19-14)15(21-16)22-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H3,17,18,19,20,21)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5497
PNG
(2-Amino-6-(2 -naphthyl)methoxypurine | 6-(naphthal...)
Show SMILES Nc1nc(OCc2ccc3ccccc3c2)c2[nH]cnc2n1
Show InChI InChI=1S/C16H13N5O/c17-16-20-14-13(18-9-19-14)15(21-16)22-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H3,17,18,19,20,21)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5516
PNG
(6-(pyridin-2-ylmethoxy)-9H-purin-2-amine | O6-Subs...)
Show SMILES Nc1nc(OCc2ccccn2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H10N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-3-1-2-4-13-7/h1-4,6H,5H2,(H3,12,14,15,16,17)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5516
PNG
(6-(pyridin-2-ylmethoxy)-9H-purin-2-amine | O6-Subs...)
Show SMILES Nc1nc(OCc2ccccn2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H10N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-3-1-2-4-13-7/h1-4,6H,5H2,(H3,12,14,15,16,17)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5470
PNG
(6-methoxy-9H-purin-2-amine | CHEMBL226395 | O6-Sub...)
Show SMILES COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5489
PNG
(2-Amino-6-adamantylmethoxypurine | 6-(adamantan-1-...)
Show SMILES Nc1nc(OCC23CC4CC(CC(C4)C2)C3)c2[nH]cnc2n1 |TLB:13:8:15:14.12.11,13:12:15:7.8.9,THB:11:10:7:14.12.13,11:12:7:15.10.9|
Show InChI InChI=1S/C16H21N5O/c17-15-20-13-12(18-8-19-13)14(21-15)22-7-16-4-9-1-10(5-16)3-11(2-9)6-16/h8-11H,1-7H2,(H3,17,18,19,20,21)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5493
PNG
(2-Amino-6-(3 -aminobenzyl)oxypurine | 6-[(3-aminop...)
Show SMILES Nc1cccc(COc2nc(N)nc3nc[nH]c23)c1
Show InChI InChI=1S/C12H12N6O/c13-8-3-1-2-7(4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5,13H2,(H3,14,15,16,17,18)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5495
PNG
(2-Amino-6-(3 -methoxybenzyl)oxypurine | 6-[(3-meth...)
Show SMILES COc1cccc(COc2nc(N)nc3nc[nH]c23)c1
Show InChI InChI=1S/C13H13N5O2/c1-19-9-4-2-3-8(5-9)6-20-12-10-11(16-7-15-10)17-13(14)18-12/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5498
PNG
(2-Amino-6-(1 -naphthyl)methoxypurine | 6-(naphthal...)
Show SMILES Nc1nc(OCc2cccc3ccccc23)c2[nH]cnc2n1
Show InChI InChI=1S/C16H13N5O/c17-16-20-14-13(18-9-19-14)15(21-16)22-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H3,17,18,19,20,21)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5506
PNG
(2-Amino-6-[(S)-2 ,2 -dimethyl-1 ,3 -dioxolane-5 -y...)
Show SMILES CC1(C)OC[C@H](COc2nc(N)nc3nc[nH]c23)O1 |r|
Show InChI InChI=1S/C11H15N5O3/c1-11(2)18-4-6(19-11)3-17-9-7-8(14-5-13-7)15-10(12)16-9/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)/t6-/m0/s1
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5512
PNG
(2-Amino-6-(piperidin-3 -ylmethyl)oxypurine | 6-(pi...)
Show SMILES Nc1nc(OCC2CCCNC2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H16N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-2-1-3-13-4-7/h6-7,13H,1-5H2,(H3,12,14,15,16,17)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5510
PNG
(6-({4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatric...)
Show SMILES CC1(C)OC2OC(COc3nc(N)nc4nc[nH]c34)C3OC(C)(C)OC3C2O1
Show InChI InChI=1S/C17H23N5O6/c1-16(2)25-9-7(24-14-11(10(9)26-16)27-17(3,4)28-14)5-23-13-8-12(20-6-19-8)21-15(18)22-13/h6-7,9-11,14H,5H2,1-4H3,(H3,18,19,20,21,22)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5511
PNG
(2-Amino-6-[1 ,4 -benzodioxan-2 -yl]methoxypurine |...)
Show SMILES Nc1nc(OCC2COc3ccccc3O2)c2[nH]cnc2n1
Show InChI InChI=1S/C14H13N5O3/c15-14-18-12-11(16-7-17-12)13(19-14)21-6-8-5-20-9-3-1-2-4-10(9)22-8/h1-4,7-8H,5-6H2,(H3,15,16,17,18,19)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5482
PNG
(1-[(2-amino-9H-purin-6-yl)oxy]-3-methylbutan-2-one...)
Show SMILES CC(C)C(=O)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C10H13N5O2/c1-5(2)6(16)3-17-9-7-8(13-4-12-7)14-10(11)15-9/h4-5H,3H2,1-2H3,(H3,11,12,13,14,15)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5492
PNG
(2-Amino-6-(3 -methylbenzyl)oxypurine | 6-[(3-methy...)
Show SMILES Cc1cccc(COc2nc(N)nc3nc[nH]c23)c1
Show InChI InChI=1S/C13H13N5O/c1-8-3-2-4-9(5-8)6-19-12-10-11(16-7-15-10)17-13(14)18-12/h2-5,7H,6H2,1H3,(H3,14,15,16,17,18)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5500
PNG
(2-Amino-6-(2 ,3 -dimethoxy)propoxypurine | 6-(2,3-...)
Show SMILES COCC(COc1nc(N)nc2nc[nH]c12)OC
Show InChI InChI=1S/C10H15N5O3/c1-16-3-6(17-2)4-18-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5498
PNG
(2-Amino-6-(1 -naphthyl)methoxypurine | 6-(naphthal...)
Show SMILES Nc1nc(OCc2cccc3ccccc23)c2[nH]cnc2n1
Show InChI InChI=1S/C16H13N5O/c17-16-20-14-13(18-9-19-14)15(21-16)22-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H3,17,18,19,20,21)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5514
PNG
((5S)-5-{[(2-amino-9H-purin-6-yl)oxy]methyl}pyrroli...)
Show SMILES Nc1nc(OC[C@@H]2CCC(=O)N2)c2[nH]cnc2n1 |r|
Show InChI InChI=1S/C10H12N6O2/c11-10-15-8-7(12-4-13-8)9(16-10)18-3-5-1-2-6(17)14-5/h4-5H,1-3H2,(H,14,17)(H3,11,12,13,15,16)/t5-/m0/s1
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n/an/an/an/an/an/an/an/an/a



University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5512
PNG
(2-Amino-6-(piperidin-3 -ylmethyl)oxypurine | 6-(pi...)
Show SMILES Nc1nc(OCC2CCCNC2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H16N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-2-1-3-13-4-7/h6-7,13H,1-5H2,(H3,12,14,15,16,17)
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Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5513
PNG
(2-Amino-6-(piperidin-3 -ylmethyl)oxypurine | 6-(pi...)
Show SMILES Nc1nc(OCC2CCNCC2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H16N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-1-3-13-4-2-7/h6-7,13H,1-5H2,(H3,12,14,15,16,17)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5481
PNG
(1-[(2-amino-9H-purin-6-yl)oxy]propan-2-one | CHEMB...)
Show SMILES CC(=O)COc1nc(N)nc2nc[nH]c12
Show InChI InChI=1S/C8H9N5O2/c1-4(14)2-15-7-5-6(11-3-10-5)12-8(9)13-7/h3H,2H2,1H3,(H3,9,10,11,12,13)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5488
PNG
(6-{[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]meth...)
Show SMILES CC(=C)[C@H]1CCC(COc2nc(N)nc3nc[nH]c23)=CC1 |r,c:20|
Show InChI InChI=1S/C15H19N5O/c1-9(2)11-5-3-10(4-6-11)7-21-14-12-13(18-8-17-12)19-15(16)20-14/h3,8,11H,1,4-7H2,2H3,(H3,16,17,18,19,20)/t11-/m1/s1
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5499
PNG
(2-Amino-6-(2 ,3 -dihydroxy)propoxyguanine | 3-[(2-...)
Show SMILES Nc1nc(OCC(O)CO)c2[nH]cnc2n1
Show InChI InChI=1S/C8H11N5O3/c9-8-12-6-5(10-3-11-6)7(13-8)16-2-4(15)1-14/h3-4,14-15H,1-2H2,(H3,9,10,11,12,13)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5500
PNG
(2-Amino-6-(2 ,3 -dimethoxy)propoxypurine | 6-(2,3-...)
Show SMILES COCC(COc1nc(N)nc2nc[nH]c12)OC
Show InChI InChI=1S/C10H15N5O3/c1-16-3-6(17-2)4-18-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5509
PNG
(2-Amino-6-(2 -tetrahydropyranyl)methoxypurine | 6-...)
Show SMILES Nc1nc(OCC2CCCCO2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H15N5O2/c12-11-15-9-8(13-6-14-9)10(16-11)18-5-7-3-1-2-4-17-7/h6-7H,1-5H2,(H3,12,13,14,15,16)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5515
PNG
((5R)-5-{[(2-amino-9H-purin-6-yl)oxy]methyl}pyrroli...)
Show SMILES Nc1nc(OC[C@H]2CCC(=O)N2)c2[nH]cnc2n1 |r|
Show InChI InChI=1S/C10H12N6O2/c11-10-15-8-7(12-4-13-8)9(16-10)18-3-5-1-2-6(17)14-5/h4-5H,1-3H2,(H,14,17)(H3,11,12,13,15,16)/t5-/m1/s1
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5517
PNG
(2-Amino-6-(3 -pyridyl)methoxypurine | 6-(pyridin-3...)
Show SMILES Nc1nc(OCc2cccnc2)c2[nH]cnc2n1
Show InChI InChI=1S/C11H10N6O/c12-11-16-9-8(14-6-15-9)10(17-11)18-5-7-2-1-3-13-4-7/h1-4,6H,5H2,(H3,12,14,15,16,17)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5514
PNG
((5S)-5-{[(2-amino-9H-purin-6-yl)oxy]methyl}pyrroli...)
Show SMILES Nc1nc(OC[C@@H]2CCC(=O)N2)c2[nH]cnc2n1 |r|
Show InChI InChI=1S/C10H12N6O2/c11-10-15-8-7(12-4-13-8)9(16-10)18-3-5-1-2-6(17)14-5/h4-5H,1-3H2,(H,14,17)(H3,11,12,13,15,16)/t5-/m0/s1
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))
BDBM5504
PNG
(6-({6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-...)
Show SMILES COC1OC(COc2nc(N)nc3nc[nH]c23)C2OC(C)(C)OC12
Show InChI InChI=1S/C14H19N5O5/c1-14(2)23-8-6(22-12(20-3)9(8)24-14)4-21-11-7-10(17-5-16-7)18-13(15)19-11/h5-6,8-9,12H,4H2,1-3H3,(H3,15,16,17,18,19)
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University of Newcastle



Assay Description
The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...


J Med Chem 45: 3381-93 (2002)


Article DOI: 10.1021/jm020056z
BindingDB Entry DOI: 10.7270/Q2891424
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%