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PubMed code 15837297

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6913
PNG
(3-Acyl-2,6-diaminopyridine deriv. 11 | 4-({6-amino...)
Show SMILES CCCCOc1cc(Nc2ccc(cc2)S(N)(=O)=O)nc(N)c1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C22H22F2N4O4S/c1-2-3-11-32-17-12-18(27-13-7-9-14(10-8-13)33(26,30)31)28-22(25)20(17)21(29)19-15(23)5-4-6-16(19)24/h4-10,12H,2-3,11H2,1H3,(H3,25,27,28)(H2,26,30,31)
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PubMed
n/an/a 260n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6898
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2r | 4-({6-amino...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C18H14F2N4O3S/c19-13-2-1-3-14(20)16(13)17(25)12-8-9-15(24-18(12)21)23-10-4-6-11(7-5-10)28(22,26)27/h1-9H,(H3,21,23,24)(H2,22,26,27)
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PubMed
n/an/a 360n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6896
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2p | 4-({6-amino...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
Show InChI InChI=1S/C20H18F2N4O3S/c1-26(2)30(28,29)13-8-6-12(7-9-13)24-17-11-10-14(20(23)25-17)19(27)18-15(21)4-3-5-16(18)22/h3-11H,1-2H3,(H3,23,24,25)
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PubMed
n/an/a 590n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6895
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2o | N-[4-({6-am...)
Show SMILES Nc1nc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C24H18F2N4O3S/c25-19-7-4-8-20(26)22(19)23(31)18-13-14-21(29-24(18)27)28-15-9-11-16(12-10-15)30-34(32,33)17-5-2-1-3-6-17/h1-14,30H,(H3,27,28,29)
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PubMed
n/an/a 740n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6893
PNG
(2-N-(4-aminophenyl)-5-[(2,6-difluorophenyl)carbony...)
Show SMILES Nc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
Show InChI InChI=1S/C18H14F2N4O/c19-13-2-1-3-14(20)16(13)17(25)12-8-9-15(24-18(12)22)23-11-6-4-10(21)5-7-11/h1-9H,21H2,(H3,22,23,24)
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PubMed
n/an/a 750n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6883
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2c | 4-({6-amino...)
Show SMILES NC(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
Show InChI InChI=1S/C19H14F2N4O2/c20-13-2-1-3-14(21)16(13)17(26)12-8-9-15(25-18(12)22)24-11-6-4-10(5-7-11)19(23)27/h1-9H,(H2,23,27)(H3,22,24,25)
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PubMed
n/an/a 950n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6892
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2l | 5-[(2,6-dif...)
Show SMILES Nc1nc(Nc2ccc(cc2)[N+]([O-])=O)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C18H12F2N4O3/c19-13-2-1-3-14(20)16(13)17(25)12-8-9-15(23-18(12)21)22-10-4-6-11(7-5-10)24(26)27/h1-9H,(H3,21,22,23)
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PubMed
n/an/a 960n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6912
PNG
(3-Acyl-2,6-diaminopyridine deriv. 10 | 4-({6-amino...)
Show SMILES CCCCOc1cc(Nc2ccc(cc2)S(=O)(=O)N(C)C)nc(N)c1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C24H26F2N4O4S/c1-4-5-13-34-19-14-20(28-15-9-11-16(12-10-15)35(32,33)30(2)3)29-24(27)22(19)23(31)21-17(25)7-6-8-18(21)26/h6-12,14H,4-5,13H2,1-3H3,(H3,27,28,29)
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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6908
PNG
(3-Acyl-2,6-diaminopyridine deriv. 3c | 3-benzoylpy...)
Show SMILES Nc1ccc(C(=O)c2ccccc2)c(N)n1
Show InChI InChI=1S/C12H11N3O/c13-10-7-6-9(12(14)15-10)11(16)8-4-2-1-3-5-8/h1-7H,(H4,13,14,15)
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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6894
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2n | 5-[(2,6-dif...)
Show SMILES CNc1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1
Show InChI InChI=1S/C19H16F2N4O/c1-23-11-5-7-12(8-6-11)24-16-10-9-13(19(22)25-16)18(26)17-14(20)3-2-4-15(17)21/h2-10,23H,1H3,(H3,22,24,25)
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Article
PubMed
n/an/a 1.14E+3n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6911
PNG
(3-Acyl-2,6-diaminopyridine deriv. 3f | 4-butoxy-3-...)
Show SMILES CCCCOc1cc(N)nc(N)c1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C16H17F2N3O2/c1-2-3-7-23-11-8-12(19)21-16(20)14(11)15(22)13-9(17)5-4-6-10(13)18/h4-6,8H,2-3,7H2,1H3,(H4,19,20,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6882
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2b | 4-({6-amino...)
Show SMILES Nc1nc(Nc2ccc(cc2)C#N)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H12F2N4O/c20-14-2-1-3-15(21)17(14)18(26)13-8-9-16(25-19(13)23)24-12-6-4-11(10-22)5-7-12/h1-9H,(H3,23,24,25)
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PubMed
n/an/a 1.37E+3n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6899
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2s | 4-({6-amino...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3F)c(N)n2)cc1
Show InChI InChI=1S/C20H19FN4O3S/c1-25(2)29(27,28)14-9-7-13(8-10-14)23-18-12-11-16(20(22)24-18)19(26)15-5-3-4-6-17(15)21/h3-12H,1-2H3,(H3,22,23,24)
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PubMed
n/an/a 1.96E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6900
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2t | 4-[(6-amino...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1
Show InChI InChI=1S/C20H20N4O3S/c1-24(2)28(26,27)16-10-8-15(9-11-16)22-18-13-12-17(20(21)23-18)19(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H3,21,22,23)
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PubMed
n/an/a 2.19E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6906
PNG
(3-Acyl-2,6-diaminopyridine deriv. 3a | 3-[(2,6-dif...)
Show SMILES Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
Show InChI InChI=1S/C12H9F2N3O/c13-7-2-1-3-8(14)10(7)11(18)6-4-5-9(15)17-12(6)16/h1-5H,(H4,15,16,17)
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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6890
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2j | 5-[(2,6-dif...)
Show SMILES Nc1nc(Nc2cccc(c2)[N+]([O-])=O)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C18H12F2N4O3/c19-13-5-2-6-14(20)16(13)17(25)12-7-8-15(23-18(12)21)22-10-3-1-4-11(9-10)24(26)27/h1-9H,(H3,21,22,23)
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PubMed
n/an/a 2.67E+3n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6891
PNG
(2-N-(3-chlorophenyl)-5-[(2,6-difluorophenyl)carbon...)
Show SMILES Nc1nc(Nc2cccc(Cl)c2)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C18H12ClF2N3O/c19-10-3-1-4-11(9-10)23-15-8-7-12(18(22)24-15)17(25)16-13(20)5-2-6-14(16)21/h1-9H,(H3,22,23,24)
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Article
PubMed
n/an/a 6.16E+3n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6907
PNG
(3-Acyl-2,6-diaminopyridine deriv. 3b | 3-[(2-fluor...)
Show SMILES Nc1ccc(C(=O)c2ccccc2F)c(N)n1
Show InChI InChI=1S/C12H10FN3O/c13-9-4-2-1-3-7(9)11(17)8-5-6-10(14)16-12(8)15/h1-6H,(H4,14,15,16)
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PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6897
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2q | 4-({6-amino...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C32H26F2N4O3S/c33-27-12-7-13-28(34)30(27)31(39)26-18-19-29(37-32(26)35)36-24-14-16-25(17-15-24)42(40,41)38(20-22-8-3-1-4-9-22)21-23-10-5-2-6-11-23/h1-19H,20-21H2,(H3,35,36,37)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6884
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2d | 4-({6-amino...)
Show SMILES Nc1nc(Nc2ccc(cc2)C(O)=O)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C19H13F2N3O3/c20-13-2-1-3-14(21)16(13)17(25)12-8-9-15(24-18(12)22)23-11-6-4-10(5-7-11)19(26)27/h1-9H,(H,26,27)(H3,22,23,24)
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n/an/a 1.00E+4n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6885
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2e | 5-[(2,6-dif...)
Show SMILES Nc1nc(Nc2ccccc2[N+]([O-])=O)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C18H12F2N4O3/c19-11-4-3-5-12(20)16(11)17(25)10-8-9-15(23-18(10)21)22-13-6-1-2-7-14(13)24(26)27/h1-9H,(H3,21,22,23)
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n/an/a>1.00E+4n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6902
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2v | 4-{[6-amino...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccco3)c(N)n2)cc1
Show InChI InChI=1S/C18H18N4O4S/c1-22(2)27(24,25)13-7-5-12(6-8-13)20-16-10-9-14(18(19)21-16)17(23)15-4-3-11-26-15/h3-11H,1-2H3,(H3,19,20,21)
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PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6886
PNG
(2-N-(2-aminophenyl)-5-[(2,6-difluorophenyl)carbony...)
Show SMILES Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
Show InChI InChI=1S/C18H14F2N4O/c19-11-4-3-5-12(20)16(11)17(25)10-8-9-15(24-18(10)22)23-14-7-2-1-6-13(14)21/h1-9H,21H2,(H3,22,23,24)
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Article
PubMed
n/an/a 1.16E+4n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6905
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2y | 5-[(2,6-dif...)
Show SMILES Nc1nc(Nc2ccccn2)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C17H12F2N4O/c18-11-4-3-5-12(19)15(11)16(24)10-7-8-14(23-17(10)20)22-13-6-1-2-9-21-13/h1-9H,(H3,20,21,22,23)
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PubMed
n/an/a 1.23E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6904
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2x | 4-{[6-amino...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3cccs3)c(N)n2)cc1
Show InChI InChI=1S/C18H18N4O3S2/c1-22(2)27(24,25)13-7-5-12(6-8-13)20-16-10-9-14(18(19)21-16)17(23)15-4-3-11-26-15/h3-11H,1-2H3,(H3,19,20,21)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6881
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2a | 5-[(2,6-dif...)
Show SMILES Nc1nc(Nc2ccccc2)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C18H13F2N3O/c19-13-7-4-8-14(20)16(13)17(24)12-9-10-15(23-18(12)21)22-11-5-2-1-3-6-11/h1-10H,(H3,21,22,23)
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Article
PubMed
n/an/a 2.17E+4n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6910
PNG
(3-(thiophen-2-ylcarbonyl)pyridine-2,6-diamine | 3-...)
Show SMILES Nc1ccc(C(=O)c2cccs2)c(N)n1
Show InChI InChI=1S/C10H9N3OS/c11-8-4-3-6(10(12)13-8)9(14)7-2-1-5-15-7/h1-5H,(H4,11,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6903
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2w | 4-{[6-amino...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccco3)c(N)n2)cc1
Show InChI InChI=1S/C20H22N4O4S/c1-3-24(4-2)29(26,27)15-9-7-14(8-10-15)22-18-12-11-16(20(21)23-18)19(25)17-6-5-13-28-17/h5-13H,3-4H2,1-2H3,(H3,21,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6889
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2i | N-[2-({6-am...)
Show SMILES Nc1nc(Nc2ccccc2NS(=O)(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C24H18F2N4O3S/c25-17-9-6-10-18(26)22(17)23(31)16-13-14-21(29-24(16)27)28-19-11-4-5-12-20(19)30-34(32,33)15-7-2-1-3-8-15/h1-14,30H,(H3,27,28,29)
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n/an/a>1.00E+5n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6888
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2h | N-[2-({6-am...)
Show SMILES Nc1nc(Nc2ccccc2NC(=O)c2ccccc2)ccc1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C25H18F2N4O2/c26-17-9-6-10-18(27)22(17)23(32)16-13-14-21(31-24(16)28)29-19-11-4-5-12-20(19)30-25(33)15-7-2-1-3-8-15/h1-14H,(H,30,33)(H3,28,29,31)
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PubMed
n/an/a>1.00E+5n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6909
PNG
(3-(furan-2-ylcarbonyl)pyridine-2,6-diamine | 3-Acy...)
Show SMILES Nc1ccc(C(=O)c2ccco2)c(N)n1
Show InChI InChI=1S/C10H9N3O2/c11-8-4-3-6(10(12)13-8)9(14)7-2-1-5-15-7/h1-5H,(H4,11,12,13)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6901
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2u | 4-[(6-amino...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)c(N)n2)cc1
Show InChI InChI=1S/C22H24N4O3S/c1-3-26(4-2)30(28,29)18-12-10-17(11-13-18)24-20-15-14-19(22(23)25-20)21(27)16-8-6-5-7-9-16/h5-15H,3-4H2,1-2H3,(H3,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6887
PNG
(3-Acyl-2,6-diaminopyridine deriv. 2g | N-[2-({6-am...)
Show SMILES CC(=O)Nc1ccccc1Nc1ccc(C(=O)c2c(F)cccc2F)c(N)n1
Show InChI InChI=1S/C20H16F2N4O2/c1-11(27)24-15-7-2-3-8-16(15)25-17-10-9-12(20(23)26-17)19(28)18-13(21)5-4-6-14(18)22/h2-10H,1H3,(H,24,27)(H3,23,25,26)
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PubMed
n/an/a>1.00E+5n/an/an/an/a8.030



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated ...


Bioorg Med Chem Lett 15: 2221-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.024
BindingDB Entry DOI: 10.7270/Q2XP734K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%