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Compile Data Set for Download or QSAR

Found 32 hits of ph data with Target = 'Cyclin-dependent kinase 1'   
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


(Homo sapiens (human))
BDBM7491
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 70n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50256043
PNG
((Z)-3-bromohymenialdisine | CHEMBL480350 | Hymenia...)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C11H9Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h16H,1-2H2,(H,15,19)(H3,14,17,18,20)
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n/an/a 530n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59150
PNG
(Hymenialdisine, 28ae)
Show SMILES NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)nc1
Show InChI InChI=1S/C17H15FN6O3S/c18-9-1-3-12-11(7-9)15-13(5-6-20-17(25)16(15)22-12)23-24-14-4-2-10(8-21-14)28(19,26)27/h1-4,7-8,22H,5-6H2,(H,20,25)(H,21,24)(H2,19,26,27)
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n/an/a 2.00E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59148
PNG
(Hymenialdisine, 28z)
Show SMILES Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1
Show InChI InChI=1S/C17H13ClFN5O/c18-16-13(2-1-6-20-16)24-23-12-5-7-21-17(25)15-14(12)10-8-9(19)3-4-11(10)22-15/h1-4,6,8,22,24H,5,7H2,(H,21,25)
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n/an/a 400n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59149
PNG
(Hymenialdisine, 28v)
Show SMILES NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cc1
Show InChI InChI=1S/C18H16FN5O3S/c19-10-1-6-14-13(9-10)16-15(7-8-21-18(25)17(16)22-14)24-23-11-2-4-12(5-3-11)28(20,26)27/h1-6,9,22-23H,7-8H2,(H,21,25)(H2,20,26,27)
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n/an/a 1.30E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59142
PNG
(Hymenialdisine, 28n)
Show SMILES NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)cc1
Show InChI InChI=1S/C18H16ClN5O3S/c19-10-1-6-14-13(9-10)16-15(7-8-21-18(25)17(16)22-14)24-23-11-2-4-12(5-3-11)28(20,26)27/h1-6,9,22-23H,7-8H2,(H,21,25)(H2,20,26,27)
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n/an/a 1.00E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59131
PNG
(Hymenialdisine, 28g)
Show SMILES Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1
Show InChI InChI=1S/C17H14ClN5O/c18-10-4-5-12-11(9-10)15-13(6-8-20-17(24)16(15)21-12)22-23-14-3-1-2-7-19-14/h1-5,7,9,21H,6,8H2,(H,19,23)(H,20,24)
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n/an/a 1.00E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM16591
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
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n/an/a 250n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59102
PNG
(Hymenialdisine, 9)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]cc(Br)c12
Show InChI InChI=1S/C11H10BrN5O2/c12-5-3-15-8-6(5)4(1-2-14-9(8)18)7-10(19)17-11(13)16-7/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 1.50E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59103
PNG
(Hymenialdisine, 15)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Cl)c(Cl)c12
Show InChI InChI=1S/C11H9Cl2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h16H,1-2H2,(H,15,19)(H3,14,17,18,20)
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n/an/a 220n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59104
PNG
(Hymenialdisine, 18)
Show SMILES CC1CC(=C2NC(N)=NC2=O)c2c(Br)c(Br)[nH]c2C(=O)N1
Show InChI InChI=1S/C12H11Br2N5O2/c1-3-2-4(7-10(20)19-12(15)18-7)5-6(13)9(14)17-8(5)11(21)16-3/h3,17H,2H2,1H3,(H,16,21)(H3,15,18,19,20)
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n/an/a 500n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59105
PNG
(Hymenialdisine, 16)
Show SMILES CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C13H11Br2N5O3/c1-4(21)17-13-19-8(12(23)20-13)5-2-3-16-11(22)9-6(5)7(14)10(15)18-9/h18H,2-3H2,1H3,(H,16,22)(H2,17,19,20,21,23)
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n/an/a 1.50E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59106
PNG
(Hymenialdisine, 17)
Show SMILES CCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C13H13Br2N5O2/c1-2-16-13-19-8(12(22)20-13)5-3-4-17-11(21)9-6(5)7(14)10(15)18-9/h18H,2-4H2,1H3,(H,17,21)(H2,16,19,20,22)
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n/an/a>1.00E+4n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50256044
PNG
(5-(2-amino-4-oxo-1H-imidazol-5(4H)-ylidene)-2,3,4,...)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12
Show InChI InChI=1S/C15H13N5O2/c16-15-19-11(14(22)20-15)8-5-6-17-13(21)12-10(8)7-3-1-2-4-9(7)18-12/h1-4,18H,5-6H2,(H,17,21)(H3,16,19,20,22)
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n/an/a 800n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59107
PNG
(Hymenialdisine, 27c)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(F)cc3c12
Show InChI InChI=1S/C15H12FN5O2/c16-6-1-2-9-8(5-6)10-7(11-14(23)21-15(17)20-11)3-4-18-13(22)12(10)19-9/h1-2,5,19H,3-4H2,(H,18,22)(H3,17,20,21,23)
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n/an/a 550n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59108
PNG
(Hymenialdisine, 27b)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Cl)cc3c12
Show InChI InChI=1S/C15H12ClN5O2/c16-6-1-2-9-8(5-6)10-7(11-14(23)21-15(17)20-11)3-4-18-13(22)12(10)19-9/h1-2,5,19H,3-4H2,(H,18,22)(H3,17,20,21,23)
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n/an/a 2.30E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59109
PNG
(Hymenialdisine, 27a)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12
Show InChI InChI=1S/C15H12BrN5O2/c16-6-1-2-9-8(5-6)10-7(11-14(23)21-15(17)20-11)3-4-18-13(22)12(10)19-9/h1-2,5,19H,3-4H2,(H,18,22)(H3,17,20,21,23)
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n/an/a 1.00E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59110
PNG
(Hymenialdisine, 27e)
Show SMILES CS(=O)(=O)c1ccc2[nH]c3c(C(CCNC3=O)=C3NC(N)=NC3=O)c2c1
Show InChI InChI=1S/C16H15N5O4S/c1-26(24,25)7-2-3-10-9(6-7)11-8(12-15(23)21-16(17)20-12)4-5-18-14(22)13(11)19-10/h2-3,6,19H,4-5H2,1H3,(H,18,22)(H3,17,20,21,23)
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n/an/a 890n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59111
PNG
(Hymenialdisine, 27f)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(cc3c12)N(=O)=O
Show InChI InChI=1S/C15H12N6O4/c16-15-19-11(14(23)20-15)7-3-4-17-13(22)12-10(7)8-5-6(21(24)25)1-2-9(8)18-12/h1-2,5,18H,3-4H2,(H,17,22)(H3,16,19,20,23)
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n/an/a 3.20E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59112
PNG
(Hymenialdisine, 27h)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(N)cc3c12
Show InChI InChI=1S/C15H14N6O2/c16-6-1-2-9-8(5-6)10-7(11-14(23)21-15(17)20-11)3-4-18-13(22)12(10)19-9/h1-2,5,19H,3-4,16H2,(H,18,22)(H3,17,20,21,23)
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n/an/a 1.60E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59113
PNG
(Hymenialdisine, 27g)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(cccc3c12)N(=O)=O
Show InChI InChI=1S/C15H12N6O4/c16-15-19-11(14(23)20-15)7-4-5-17-13(22)12-9(7)6-2-1-3-8(21(24)25)10(6)18-12/h1-3,18H,4-5H2,(H,17,22)(H3,16,19,20,23)
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n/an/a 1.20E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59114
PNG
(Hymenialdisine, 27i)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(N)cccc3c12
Show InChI InChI=1S/C15H14N6O2/c16-8-3-1-2-6-9-7(11-14(23)21-15(17)20-11)4-5-18-13(22)12(9)19-10(6)8/h1-3,19H,4-5,16H2,(H,18,22)(H3,17,20,21,23)
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n/an/a 1.60E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59115
PNG
(Hymenialdisine, 27j)
Show SMILES CC1CC(=C2NC(N)=NC2=O)c2c([nH]c3ccc(Br)cc23)C(=O)N1
Show InChI InChI=1S/C16H14BrN5O2/c1-6-4-9(12-14(23)22-16(18)21-12)11-8-5-7(17)2-3-10(8)20-13(11)15(24)19-6/h2-3,5-6,20H,4H2,1H3,(H,19,24)(H3,18,21,22,23)
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n/an/a 500n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59116
PNG
(Hymenialdisine, 27k)
Show SMILES CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12
Show InChI InChI=1S/C17H14BrN5O3/c1-7(24)20-17-22-13(16(26)23-17)9-4-5-19-15(25)14-12(9)10-6-8(18)2-3-11(10)21-14/h2-3,6,21H,4-5H2,1H3,(H,19,25)(H2,20,22,23,24,26)
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n/an/a>10n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59117
PNG
(CHEMBL151430 | Hymenialdisine, 11b)
Show SMILES Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C11H11Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h3-4,18H,1-2H2,(H,15,19)(H3,14,16,17)
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n/an/a>1.00E+4n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM59130
PNG
(Hymenialdisine, 28t)
Show SMILES Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1
Show InChI InChI=1S/C17H14FN5O/c18-10-4-5-12-11(9-10)15-13(6-8-20-17(24)16(15)21-12)22-23-14-3-1-2-7-19-14/h1-5,7,9,21H,6,8H2,(H,19,23)(H,20,24)
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n/an/a 1.30E+3n/an/an/an/a7.2n/a



Genomics Institute of the Novartis Research Foundation



Assay Description
In vitro kinase assay using SPA assay kit from Amersham Pharmacia Biotech, Uk.


Chem Biol 11: 247-59 (2004)


Article DOI: 10.1016/j.chembiol.2004.01.015
BindingDB Entry DOI: 10.7270/Q2FN14M9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM84528
PNG
(Alsterpaullone derivative, 2)
Show SMILES O=C1Cc2c([nH]c3ccc(cc23)N(=O)=O)-c2ccccc2N1
Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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n/an/a 35n/an/an/an/a7.530



Technische Universität Braunschweig



Assay Description
Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.


Chembiochem 6: 541-9 (2005)


Article DOI: 10.1002/cbic.200400099
BindingDB Entry DOI: 10.7270/Q2FX780X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM84532
PNG
(Alsterpaullone derivative, 6)
Show SMILES COC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)N(=O)=O)-c2c1
Show InChI InChI=1S/C20H17N3O5/c1-28-19(25)7-3-11-2-5-17-15(8-11)20-14(10-18(24)21-17)13-9-12(23(26)27)4-6-16(13)22-20/h2,4-6,8-9,22H,3,7,10H2,1H3,(H,21,24)
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n/an/a 100n/an/an/an/a7.530



Technische Universität Braunschweig



Assay Description
Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.


Chembiochem 6: 541-9 (2005)


Article DOI: 10.1002/cbic.200400099
BindingDB Entry DOI: 10.7270/Q2FX780X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM84531
PNG
(Alsterpaullone derivative, 5)
Show SMILES OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)N(=O)=O)-c2c1
Show InChI InChI=1S/C19H15N3O5/c23-17-9-13-12-8-11(22(26)27)3-5-15(12)21-19(13)14-7-10(2-6-18(24)25)1-4-16(14)20-17/h1,3-5,7-8,21H,2,6,9H2,(H,20,23)(H,24,25)
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n/an/a 25n/an/an/an/a7.530



Technische Universität Braunschweig



Assay Description
Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.


Chembiochem 6: 541-9 (2005)


Article DOI: 10.1002/cbic.200400099
BindingDB Entry DOI: 10.7270/Q2FX780X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM84530
PNG
(Alsterpaullone derivative, 4)
Show SMILES NCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)N(=O)=O)-c2c1
Show InChI InChI=1S/C19H18N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,7,10,20H2,(H,21,24)
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n/an/a 27n/an/an/an/a7.530



Technische Universität Braunschweig



Assay Description
Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.


Chembiochem 6: 541-9 (2005)


Article DOI: 10.1002/cbic.200400099
BindingDB Entry DOI: 10.7270/Q2FX780X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM84529
PNG
(Alsterpaullone derivative, 3)
Show SMILES NCCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)N(=O)=O)-c2c1
Show InChI InChI=1S/C20H20N4O3/c21-8-2-1-3-12-4-6-18-16(9-12)20-15(11-19(25)22-18)14-10-13(24(26)27)5-7-17(14)23-20/h4-7,9-10,23H,1-3,8,11,21H2,(H,22,25)
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n/an/a 80n/an/an/an/a7.530



Technische Universität Braunschweig



Assay Description
Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.


Chembiochem 6: 541-9 (2005)


Article DOI: 10.1002/cbic.200400099
BindingDB Entry DOI: 10.7270/Q2FX780X
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM84533
PNG
(Alsterpaullone derivative, 7)
Show SMILES O=C1Cc2c([nH]c3ccc(cc23)N(=O)=O)-c2cc(CCC#N)ccc2N1
Show InChI InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)
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n/an/a 0.230n/an/an/an/a7.530



Technische Universität Braunschweig



Assay Description
Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.


Chembiochem 6: 541-9 (2005)


Article DOI: 10.1002/cbic.200400099
BindingDB Entry DOI: 10.7270/Q2FX780X
More data for this
Ligand-Target Pair