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Compile Data Set for Download or QSAR

Found 99 hits of Enz. Inhib. data with enzyme = 'Cyclin-Dependent Kinase 1 (CDK1)' and Substrate = 'Biotinylated CDK1 Peptide Substrate'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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PubMed
n/an/a 0.600n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6872
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3h ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1sccc1F
Show InChI InChI=1S/C13H11FN6O3S2/c14-9-5-6-24-10(9)11(21)20-12(15)18-13(19-20)17-7-1-3-8(4-2-7)25(16,22)23/h1-6H,(H2,16,22,23)(H3,15,17,18,19)
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PubMed
n/an/a 2.10n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6871
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3g ...)
Show SMILES Cc1cc(C)c(s1)C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Show InChI InChI=1S/C15H16N6O3S2/c1-8-7-9(2)25-12(8)13(22)21-14(16)19-15(20-21)18-10-3-5-11(6-4-10)26(17,23)24/h3-7H,1-2H3,(H2,17,23,24)(H3,16,18,19,20)
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n/an/a 3.20n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6880
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 4b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)n(n1)C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-14(22-13(18)23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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n/an/a 3.20n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6868
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3d ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)ccc(F)c1F
Show InChI InChI=1S/C15H11F3N6O3S/c16-9-5-6-10(17)12(18)11(9)13(25)24-14(19)22-15(23-24)21-7-1-3-8(4-2-7)28(20,26)27/h1-6H,(H2,20,26,27)(H3,19,21,22,23)
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n/an/a 3.20n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6877
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3m ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O3S/c16-10-2-1-3-11(17)12(10)21-15(25)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,26)27/h1-7H,(H,21,25)(H2,19,26,27)(H3,18,20,22,23)
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n/an/a 3.70n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6869
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3e ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1cccs1
Show InChI InChI=1S/C13H12N6O3S2/c14-12-17-13(18-19(12)11(20)10-2-1-7-23-10)16-8-3-5-9(6-4-8)24(15,21)22/h1-7H,(H2,15,21,22)(H3,14,16,17,18)
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n/an/a 4.5n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6870
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3f ...)
Show SMILES Cc1ccsc1C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Show InChI InChI=1S/C14H14N6O3S2/c1-8-6-7-24-11(8)12(21)20-13(15)18-14(19-20)17-9-2-4-10(5-3-9)25(16,22)23/h2-7H,1H3,(H2,16,22,23)(H3,15,17,18,19)
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n/an/a 4.80n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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PubMed
n/an/a 6.40n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6867
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3c ...)
Show SMILES Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)c1F
Show InChI InChI=1S/C16H14F2N6O3S/c1-8-2-7-11(17)12(13(8)18)14(25)24-15(19)22-16(23-24)21-9-3-5-10(6-4-9)28(20,26)27/h2-7H,1H3,(H2,20,26,27)(H3,19,21,22,23)
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n/an/a 8n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6865
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3a ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1ccccc1
Show InChI InChI=1S/C15H14N6O3S/c16-14-19-15(18-11-6-8-12(9-7-11)25(17,23)24)20-21(14)13(22)10-4-2-1-3-5-10/h1-9H,(H2,17,23,24)(H3,16,18,19,20)
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n/an/a 45n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6873
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3i ...)
Show SMILES CN(C)CCNS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C19H21F2N7O3S/c1-27(2)11-10-23-32(30,31)13-8-6-12(7-9-13)24-19-25-18(22)28(26-19)17(29)16-14(20)4-3-5-15(16)21/h3-9,23H,10-11H2,1-2H3,(H3,22,24,25,26)
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n/an/a 130n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
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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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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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))
BDBM6433
PNG
(3-[(4-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cc(ccn1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(10-14)23-18-12-20-11-16(24-18)13-5-7-22-17(9-13)21-6-2-8-25/h1,3-5,7,9-12,25H,2,6,8H2,(H,21,22)(H,23,24)
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n/an/a 500n/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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6874
PNG
(1-(2,6-difluorobenzoyl)-N3-[4-(piperidin-1-ylsulfo...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(=O)(=O)N2CCCCC2)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C20H20F2N6O3S/c21-15-5-4-6-16(22)17(15)18(29)28-19(23)25-20(26-28)24-13-7-9-14(10-8-13)32(30,31)27-11-2-1-3-12-27/h4-10H,1-3,11-12H2,(H3,23,24,25,26)
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n/an/a 540n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
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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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))
BDBM6876
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3l ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1S(=O)(=O)c1c(F)cccc1F
Show InChI InChI=1S/C14H12F2N6O4S2/c15-10-2-1-3-11(16)12(10)28(25,26)22-13(17)20-14(21-22)19-8-4-6-9(7-5-8)27(18,23)24/h1-7H,(H2,18,23,24)(H3,17,19,20,21)
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n/an/a 660n/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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
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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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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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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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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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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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))
BDBM6879
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 4a ...)
Show SMILES Cc1ccc(F)c(C(=O)n2nc(N)nc2Nc2ccc(cc2)S(N)(=O)=O)c1F
Show InChI InChI=1S/C16H14F2N6O3S/c1-8-2-7-11(17)12(13(8)18)14(25)24-16(22-15(19)23-24)21-9-3-5-10(6-4-9)28(20,26)27/h2-7H,1H3,(H2,20,26,27)(H3,19,21,22,23)
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n/an/a 2.10E+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 ...


J Med Chem 48: 4208-11 (2005)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
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))
BDBM6434
PNG
(3-[(4-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cnccc1-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H18ClN5O/c19-13-3-1-4-14(9-13)23-18-12-21-11-17(24-18)15-5-7-20-10-16(15)22-6-2-8-25/h1,3-5,7,9-12,22,25H,2,6,8H2,(H,23,24)
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n/an/a 2.22E+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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6426
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrimidin-4-yl}pyr...)
Show SMILES OCCCNc1cncc(c1)-c1cc(Nc2cccc(Cl)c2)ncn1
Show InChI InChI=1S/C18H18ClN5O/c19-14-3-1-4-15(8-14)24-18-9-17(22-12-23-18)13-7-16(11-20-10-13)21-5-2-6-25/h1,3-4,7-12,21,25H,2,5-6H2,(H,22,23,24)
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n/an/a 2.40E+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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
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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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))
BDBM6399
PNG
(5-[6-(3-Chloro-phenylamino)-pyrazin-2-yl]-N-(2-(di...)
Show SMILES CN(C)CCNC(=O)c1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C20H21ClN6O/c1-27(2)7-6-24-20(28)15-8-14(10-22-11-15)18-12-23-13-19(26-18)25-17-5-3-4-16(21)9-17/h3-5,8-13H,6-7H2,1-2H3,(H,24,28)(H,25,26)
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PubMed
n/an/a 3.69E+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...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6415
PNG
(4-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OC(=O)CCCNc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C19H18ClN5O2/c20-14-3-1-4-15(8-14)24-18-12-22-11-17(25-18)13-7-16(10-21-9-13)23-6-2-5-19(26)27/h1,3-4,7-12,23H,2,5-6H2,(H,24,25)(H,26,27)
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n/an/a 5.22E+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...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6410
PNG
((3-Chlorophenyl)-{6-[5-(3-piperidin-1-yl-propylami...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCCCC3)c2)c1
Show InChI InChI=1S/C23H27ClN6/c24-19-6-4-7-20(13-19)28-23-17-26-16-22(29-23)18-12-21(15-25-14-18)27-8-5-11-30-9-2-1-3-10-30/h4,6-7,12-17,27H,1-3,5,8-11H2,(H,28,29)
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PubMed
n/an/a 5.39E+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...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6407
PNG
(N-(3-Chlorophenyl)-6-[5-[[3-(1-piperazinyl)propyl]...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCN3CCNCC3)c2)c1
Show InChI InChI=1S/C22H26ClN7/c23-18-3-1-4-19(12-18)28-22-16-26-15-21(29-22)17-11-20(14-25-13-17)27-5-2-8-30-9-6-24-7-10-30/h1,3-4,11-16,24,27H,2,5-10H2,(H,28,29)
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n/an/a 5.62E+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...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
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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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))
BDBM6436
PNG
(3-[(5-{6-[(3-chlorophenyl)amino]pyrazin-2-yl}-1,3-...)
Show SMILES OCCCNc1ncc(s1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H16ClN5OS/c17-11-3-1-4-12(7-11)21-15-10-18-8-13(22-15)14-9-20-16(24-14)19-5-2-6-23/h1,3-4,7-10,23H,2,5-6H2,(H,19,20)(H,21,22)
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n/an/a 8.08E+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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 1886-900 (2005)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2HM56NC
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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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))
BDBM6388
PNG
(3-[(5-{6-[(3-fluorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2cccc(F)c2)n1
Show InChI InChI=1S/C18H18FN5O/c19-14-3-1-4-15(8-14)23-18-12-21-11-17(24-18)13-7-16(10-20-9-13)22-5-2-6-25/h1,3-4,7-12,22,25H,2,5-6H2,(H,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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6389
PNG
(3-[(5-{6-[(3-methoxyphenyl)amino]pyrazin-2-yl}pyri...)
Show SMILES COc1cccc(Nc2cncc(n2)-c2cncc(NCCCO)c2)c1
Show InChI InChI=1S/C19H21N5O2/c1-26-17-5-2-4-15(9-17)23-19-13-21-12-18(24-19)14-8-16(11-20-10-14)22-6-3-7-25/h2,4-5,8-13,22,25H,3,6-7H2,1H3,(H,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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6390
PNG
(3-[(5-{6-[(2-chlorophenyl)amino]pyrazin-2-yl}pyrid...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Nc2ccccc2Cl)n1
Show InChI InChI=1S/C18H18ClN5O/c19-15-4-1-2-5-16(15)23-18-12-21-11-17(24-18)13-8-14(10-20-9-13)22-6-3-7-25/h1-2,4-5,8-12,22,25H,3,6-7H2,(H,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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6391
PNG
((3-Chloro-phenyl)-{6-[5-(3-pyridin-4-yl-propylamin...)
Show SMILES Clc1cccc(Nc2cncc(n2)-c2cncc(NCCCc3ccncc3)c2)c1
Show InChI InChI=1S/C23H21ClN6/c24-19-4-1-5-20(12-19)29-23-16-27-15-22(30-23)18-11-21(14-26-13-18)28-8-2-3-17-6-9-25-10-7-17/h1,4-7,9-16,28H,2-3,8H2,(H,29,30)
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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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6392
PNG
((4-Chloro-phenyl)-{6-[5-(3-pyridin-4-yl-propylamin...)
Show SMILES Clc1ccc(Nc2cncc(n2)-c2cncc(NCCCc3ccncc3)c2)cc1
Show InChI InChI=1S/C23H21ClN6/c24-19-3-5-20(6-4-19)29-23-16-27-15-22(30-23)18-12-21(14-26-13-18)28-9-1-2-17-7-10-25-11-8-17/h3-8,10-16,28H,1-2,9H2,(H,29,30)
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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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6393
PNG
((3,4-Dichloro-phenyl)-{6-[5-(3-pyridin-4-yl-propyl...)
Show SMILES Clc1ccc(Nc2cncc(n2)-c2cncc(NCCCc3ccncc3)c2)cc1Cl
Show InChI InChI=1S/C23H20Cl2N6/c24-20-4-3-18(11-21(20)25)30-23-15-28-14-22(31-23)17-10-19(13-27-12-17)29-7-1-2-16-5-8-26-9-6-16/h3-6,8-15,29H,1-2,7H2,(H,30,31)
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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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6394
PNG
(3-({5-[6-(benzylamino)pyrazin-2-yl]pyridin-3-yl}am...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(NCc2ccccc2)n1
Show InChI InChI=1S/C19H21N5O/c25-8-4-7-22-17-9-16(11-20-12-17)18-13-21-14-19(24-18)23-10-15-5-2-1-3-6-15/h1-3,5-6,9,11-14,22,25H,4,7-8,10H2,(H,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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6395
PNG
(3-({5-[6-(3-chlorophenoxy)pyrazin-2-yl]pyridin-3-y...)
Show SMILES OCCCNc1cncc(c1)-c1cncc(Oc2cccc(Cl)c2)n1
Show InChI InChI=1S/C18H17ClN4O2/c19-14-3-1-4-16(8-14)25-18-12-21-11-17(23-18)13-7-15(10-20-9-13)22-5-2-6-24/h1,3-4,7-12,22,24H,2,5-6H2
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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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM6396
PNG
(6-(5-aminopyridin-3-yl)-N-(3-chlorophenyl)pyrazin-...)
Show SMILES Nc1cncc(c1)-c1cncc(Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C15H12ClN5/c16-11-2-1-3-13(5-11)20-15-9-19-8-14(21-15)10-4-12(17)7-18-6-10/h1-9H,17H2,(H,20,21)
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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 5 uM ATP/[gamma-33P]ATP in a streptavidin coated F...


J Med Chem 48: 4892-909 (2005)


Article DOI: 10.1021/jm058205b
BindingDB Entry DOI: 10.7270/Q2NC5ZD5
More data for this
Ligand-Target Pair
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