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PubMed code 12482427

Compile data set for download or QSAR
Found 36 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))		BDBM5572
PNG
(6-(cyclohex-3-en-1-ylmethoxy)-5-nitrosopyrimidine-...)
Show SMILES Nc1nc(N)c(N=O)c(OCC2CCC=CC2)n1 |c:14|
Show InChI InChI=1S/C11H15N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H4,12,13,14,15)
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n/an/a 4.00E+3n/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5572
PNG
(6-(cyclohex-3-en-1-ylmethoxy)-5-nitrosopyrimidine-...)
Show SMILES Nc1nc(N)c(N=O)c(OCC2CCC=CC2)n1 |c:14|
Show InChI InChI=1S/C11H15N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H4,12,13,14,15)
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n/an/a 5.00E+3n/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5573
PNG
(6-(benzyloxy)-5-nitrosopyrimidine-2,4-diamine | CH...)
Show SMILES Nc1nc(N)c(N=O)c(OCc2ccccc2)n1
Show InChI InChI=1S/C11H11N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,12,13,14,15)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5573
PNG
(6-(benzyloxy)-5-nitrosopyrimidine-2,4-diamine | CH...)
Show SMILES Nc1nc(N)c(N=O)c(OCc2ccccc2)n1
Show InChI InChI=1S/C11H11N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,12,13,14,15)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5571
PNG
((2S)-2-{[(2,6-diamino-5-nitrosopyrimidin-4-yl)oxy]...)
Show SMILES Nc1nc(N)c(N=O)c(OC[C@@H]2NCCC2=O)n1 |r|
Show InChI InChI=1S/C9H12N6O3/c10-7-6(15-17)8(14-9(11)13-7)18-3-4-5(16)1-2-12-4/h4,12H,1-3H2,(H4,10,11,13,14)/t4-/m0/s1
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n/an/a 5.70E+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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5571
PNG
((2S)-2-{[(2,6-diamino-5-nitrosopyrimidin-4-yl)oxy]...)
Show SMILES Nc1nc(N)c(N=O)c(OC[C@@H]2NCCC2=O)n1 |r|
Show InChI InChI=1S/C9H12N6O3/c10-7-6(15-17)8(14-9(11)13-7)18-3-4-5(16)1-2-12-4/h4,12H,1-3H2,(H4,10,11,13,14)/t4-/m0/s1
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n/an/a 6.50E+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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5580
PNG
(6-(cyclohexylmethoxy)-4-N-(4-methoxyphenyl)-5-nitr...)
Show SMILES COc1ccc(Nc2nc(N)nc(OCC3CCCCC3)c2N=O)cc1
Show InChI InChI=1S/C18H23N5O3/c1-25-14-9-7-13(8-10-14)20-16-15(23-24)17(22-18(19)21-16)26-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H3,19,20,21,22)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5579
PNG
(6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidi...)
Show SMILES Nc1nc(Nc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C17H21N5O2/c18-17-20-15(19-13-9-5-2-6-10-13)14(22-23)16(21-17)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H3,18,19,20,21)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5574
PNG
(6-(cyclohexylmethoxy)pyrimidine-2,4-diamine | NU60...)
Show SMILES Nc1cc(OCC2CCCCC2)nc(N)n1
Show InChI InChI=1S/C11H18N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,12,13,14,15)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5583
PNG
(6-(cyclohexylmethoxy)-5-[(1E)-(methoxyimino)methyl...)
Show SMILES CO\N=C\c1c(N)nc(N)nc1OCC1CCCCC1
Show InChI InChI=1S/C13H21N5O2/c1-19-16-7-10-11(14)17-13(15)18-12(10)20-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H4,14,15,17,18)/b16-7+
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5585
PNG
([(E)-{[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-...)
Show SMILES NC(=O)NN=Cc1c(N)nc(N)nc1OCC1CCCCC1 |w:5.5|
Show InChI InChI=1S/C13H21N7O2/c14-10-9(6-17-20-13(16)21)11(19-12(15)18-10)22-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H3,16,20,21)(H4,14,15,18,19)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5585
PNG
([(E)-{[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-...)
Show SMILES NC(=O)NN=Cc1c(N)nc(N)nc1OCC1CCCCC1 |w:5.5|
Show InChI InChI=1S/C13H21N7O2/c14-10-9(6-17-20-13(16)21)11(19-12(15)18-10)22-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H3,16,20,21)(H4,14,15,18,19)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5576
PNG
(N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidi...)
Show SMILES CC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O
Show InChI InChI=1S/C13H19N5O3/c1-8(19)15-11-10(18-20)12(17-13(14)16-11)21-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H3,14,15,16,17,19)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5587
PNG
(5-benzoyl-6-(cyclohexylmethoxy)pyrimidine-2,4-diam...)
Show SMILES Nc1nc(N)c(C(=O)c2ccccc2)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C18H22N4O2/c19-16-14(15(23)13-9-5-2-6-10-13)17(22-18(20)21-16)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H4,19,20,21,22)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5582
PNG
(6-(cyclohexylmethoxy)-5-[(1E)-(hydroxyimino)methyl...)
Show SMILES Nc1nc(N)c(CN=O)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C12H19N5O2/c13-10-9(6-15-18)11(17-12(14)16-10)19-7-8-4-2-1-3-5-8/h8H,1-7H2,(H4,13,14,16,17)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5584
PNG
(5-[(1E)-[(benzyloxy)imino]methyl]-6-(cyclohexylmet...)
Show SMILES Nc1nc(N)c(\C=N\OCc2ccccc2)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C19H25N5O2/c20-17-16(11-22-26-13-15-9-5-2-6-10-15)18(24-19(21)23-17)25-12-14-7-3-1-4-8-14/h2,5-6,9-11,14H,1,3-4,7-8,12-13H2,(H4,20,21,23,24)/b22-11+
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5588
PNG
(6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine | p...)
Show SMILES Nc1nc(N)c(N)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C11H19N5O/c12-8-9(13)15-11(14)16-10(8)17-6-7-4-2-1-3-5-7/h7H,1-6,12H2,(H4,13,14,15,16)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5577
PNG
(methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosop...)
Show SMILES COC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O
Show InChI InChI=1S/C13H19N5O4/c1-21-13(19)16-10-9(18-20)11(17-12(14)15-10)22-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H3,14,15,16,17,19)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5575
PNG
(6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamin...)
Show SMILES Nc1cc(OCC2CCC=CC2)nc(N)n1 |c:9|
Show InChI InChI=1S/C11H16N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-2,6,8H,3-5,7H2,(H4,12,13,14,15)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5577
PNG
(methyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosop...)
Show SMILES COC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O
Show InChI InChI=1S/C13H19N5O4/c1-21-13(19)16-10-9(18-20)11(17-12(14)15-10)22-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H3,14,15,16,17,19)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5586
PNG
([2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl](...)
Show SMILES Nc1nc(N)c(C(O)c2ccccc2)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C18H24N4O2/c19-16-14(15(23)13-9-5-2-6-10-13)17(22-18(20)21-16)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,15,23H,1,3-4,7-8,11H2,(H4,19,20,21,22)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5587
PNG
(5-benzoyl-6-(cyclohexylmethoxy)pyrimidine-2,4-diam...)
Show SMILES Nc1nc(N)c(C(=O)c2ccccc2)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C18H22N4O2/c19-16-14(15(23)13-9-5-2-6-10-13)17(22-18(20)21-16)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H4,19,20,21,22)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5586
PNG
([2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl](...)
Show SMILES Nc1nc(N)c(C(O)c2ccccc2)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C18H24N4O2/c19-16-14(15(23)13-9-5-2-6-10-13)17(22-18(20)21-16)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12,15,23H,1,3-4,7-8,11H2,(H4,19,20,21,22)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5581
PNG
(2,4-diamino-6-(cyclohexylmethoxy)pyrimidine-5-carb...)
Show SMILES Nc1nc(N)c(C=O)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C12H18N4O2/c13-10-9(6-17)11(16-12(14)15-10)18-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,13,14,15,16)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5583
PNG
(6-(cyclohexylmethoxy)-5-[(1E)-(methoxyimino)methyl...)
Show SMILES CO\N=C\c1c(N)nc(N)nc1OCC1CCCCC1
Show InChI InChI=1S/C13H21N5O2/c1-19-16-7-10-11(14)17-13(15)18-12(10)20-8-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H4,14,15,17,18)/b16-7+
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5575
PNG
(6-(cyclohex-3-en-1-ylmethoxy)pyrimidine-2,4-diamin...)
Show SMILES Nc1cc(OCC2CCC=CC2)nc(N)n1 |c:9|
Show InChI InChI=1S/C11H16N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-2,6,8H,3-5,7H2,(H4,12,13,14,15)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5581
PNG
(2,4-diamino-6-(cyclohexylmethoxy)pyrimidine-5-carb...)
Show SMILES Nc1nc(N)c(C=O)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C12H18N4O2/c13-10-9(6-17)11(16-12(14)15-10)18-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,13,14,15,16)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5582
PNG
(6-(cyclohexylmethoxy)-5-[(1E)-(hydroxyimino)methyl...)
Show SMILES Nc1nc(N)c(CN=O)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C12H19N5O2/c13-10-9(6-15-18)11(17-12(14)16-10)19-7-8-4-2-1-3-5-8/h8H,1-7H2,(H4,13,14,16,17)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5584
PNG
(5-[(1E)-[(benzyloxy)imino]methyl]-6-(cyclohexylmet...)
Show SMILES Nc1nc(N)c(\C=N\OCc2ccccc2)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C19H25N5O2/c20-17-16(11-22-26-13-15-9-5-2-6-10-15)18(24-19(21)23-17)25-12-14-7-3-1-4-8-14/h2,5-6,9-11,14H,1,3-4,7-8,12-13H2,(H4,20,21,23,24)/b22-11+
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5578
PNG
(benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosop...)
Show SMILES Nc1nc(NC(=O)OCc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C19H23N5O4/c20-18-21-16(22-19(25)28-12-14-9-5-2-6-10-14)15(24-26)17(23-18)27-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H3,20,21,22,23,25)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5588
PNG
(6-(cyclohexylmethoxy)pyrimidine-2,4,5-triamine | p...)
Show SMILES Nc1nc(N)c(N)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C11H19N5O/c12-8-9(13)15-11(14)16-10(8)17-6-7-4-2-1-3-5-7/h7H,1-6,12H2,(H4,13,14,15,16)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5580
PNG
(6-(cyclohexylmethoxy)-4-N-(4-methoxyphenyl)-5-nitr...)
Show SMILES COc1ccc(Nc2nc(N)nc(OCC3CCCCC3)c2N=O)cc1
Show InChI InChI=1S/C18H23N5O3/c1-25-14-9-7-13(8-10-14)20-16-15(23-24)17(22-18(19)21-16)26-11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H3,19,20,21,22)
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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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5578
PNG
(benzyl N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosop...)
Show SMILES Nc1nc(NC(=O)OCc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C19H23N5O4/c20-18-21-16(22-19(25)28-12-14-9-5-2-6-10-14)15(24-26)17(23-18)27-11-13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H3,20,21,22,23,25)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5576
PNG
(N-[2-amino-6-(cyclohexylmethoxy)-5-nitrosopyrimidi...)
Show SMILES CC(=O)Nc1nc(N)nc(OCC2CCCCC2)c1N=O
Show InChI InChI=1S/C13H19N5O3/c1-8(19)15-11-10(18-20)12(17-13(14)16-11)21-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H3,14,15,16,17,19)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B


(Marthasterias glacialis (starfish))		BDBM5574
PNG
(6-(cyclohexylmethoxy)pyrimidine-2,4-diamine | NU60...)
Show SMILES Nc1cc(OCC2CCCCC2)nc(N)n1
Show InChI InChI=1S/C11H18N4O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H4,12,13,14,15)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2


(Homo sapiens (Human))		BDBM5579
PNG
(6-(cyclohexylmethoxy)-5-nitroso-4-N-phenylpyrimidi...)
Show SMILES Nc1nc(Nc2ccccc2)c(N=O)c(OCC2CCCCC2)n1
Show InChI InChI=1S/C17H21N5O2/c18-17-20-15(19-13-9-5-2-6-10-13)14(22-23)16(21-17)24-11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H3,18,19,20,21)
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n/an/an/an/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 ...

Bioorg Med Chem Lett 13: 217-22 (2003)


Article DOI: 10.1016/s0960-894x(02)00884-3
BindingDB Entry DOI: 10.7270/Q2W09433
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%