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Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'seavers' and Initial = 'lc'   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM12588
PNG
((2R,3S)-3-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H33ClN6O4S/c1-18-12-27(39-4)19(2)20(3)28(18)40(37,38)32-16-26(36)24(13-21-8-6-5-7-9-21)30-15-22-14-23(29)10-11-25(22)35-17-31-33-34-35/h5-12,14,17,24,26,30,32,36H,13,15-16H2,1-4H3/t24-,26+/m0/s1
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n/an/a 1.40n/an/an/an/a8.022



Astex



Assay Description
The cleavage of the substrate was followed by monitoring the change in fluorescence at 460 nm (excitation at 365 nm) for 25 min at room temperature o...


J Med Chem 49: 1346-55 (2006)


Article DOI: 10.1021/jm050850v
BindingDB Entry DOI: 10.7270/Q20863J2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24644
PNG
(4-N-(2,6-difluorobenzene)-3-N-(4-fluorophenyl)-1H-...)
Show SMILES Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25)
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n/an/a 3n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM12589
PNG
((2R,3S)-3-({[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NCc1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C25H27ClN6O4S/c1-36-21-8-10-22(11-9-21)37(34,35)29-16-25(33)23(13-18-5-3-2-4-6-18)27-15-19-14-20(26)7-12-24(19)32-17-28-30-31-32/h2-12,14,17,23,25,27,29,33H,13,15-16H2,1H3/t23-,25+/m0/s1
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n/an/a 3.70n/an/an/an/a8.022



Astex



Assay Description
The cleavage of the substrate was followed by monitoring the change in fluorescence at 460 nm (excitation at 365 nm) for 25 min at room temperature o...


J Med Chem 49: 1346-55 (2006)


Article DOI: 10.1021/jm050850v
BindingDB Entry DOI: 10.7270/Q20863J2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM24644
PNG
(4-N-(2,6-difluorobenzene)-3-N-(4-fluorophenyl)-1H-...)
Show SMILES Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)cc1
Show InChI InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25)
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n/an/a 10n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclin B activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24646
PNG
(3-N-cyclohexyl-4-N-(2,6-difluorobenzene)-1H-pyrazo...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H18F2N4O2/c18-11-7-4-8-12(19)14(11)16(24)22-13-9-20-23-15(13)17(25)21-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 12n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM24654
PNG
(4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-...)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 18n/an/an/an/an/an/a



Astex



Assay Description
CDK5/p35 activity was determined in DELFIA format using a biotinylated Histone H1 peptide. The phosphorylated peptide was quantified using rabbit pho...


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24647
PNG
(4-N-(2,6-difluorobenzene)-3-N-(4-hydroxycyclohexyl...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F
Show InChI InChI=1S/C17H18F2N4O3/c18-11-2-1-3-12(19)14(11)16(25)22-13-8-20-23-15(13)17(26)21-9-4-6-10(24)7-5-9/h1-3,8-10,24H,4-7H2,(H,20,23)(H,21,26)(H,22,25)/t9-,10-
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n/an/a 19n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24645
PNG
(3-N-(cyclopropylmethyl)-4-N-(2,6-difluorobenzene)-...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NCC1CC1
Show InChI InChI=1S/C15H14F2N4O2/c16-9-2-1-3-10(17)12(9)14(22)20-11-7-19-21-13(11)15(23)18-6-8-4-5-8/h1-3,7-8H,4-6H2,(H,18,23)(H,19,21)(H,20,22)
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n/an/a 25n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24633
PNG
(5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)p...)
Show SMILES CC(C)Nc1cc(N[C@H]2CC[C@H](N)CC2)nc2c(cnn12)C#N
Show InChI InChI=1S/C16H23N7/c1-10(2)20-15-7-14(21-13-5-3-12(18)4-6-13)22-16-11(8-17)9-19-23(15)16/h7,9-10,12-13,20H,3-6,18H2,1-2H3,(H,21,22)/t12-,13-
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n/an/a 30n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24652
PNG
(4-N-(2-fluoro-6-methoxybenzene)-3-N-(piperidin-4-y...)
Show SMILES COc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Show InChI InChI=1S/C17H20FN5O3/c1-26-13-4-2-3-11(18)14(13)16(24)22-12-9-20-23-15(12)17(25)21-10-5-7-19-8-6-10/h2-4,9-10,19H,5-8H2,1H3,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 35n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24648
PNG
(3-N-(4-aminocyclohexyl)-4-N-(2,6-difluorobenzene)-...)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F
Show InChI InChI=1S/C17H19F2N5O2/c18-11-2-1-3-12(19)14(11)16(25)23-13-8-21-24-15(13)17(26)22-10-6-4-9(20)5-7-10/h1-3,8-10H,4-7,20H2,(H,21,24)(H,22,26)(H,23,25)/t9-,10-
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n/an/a 38n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM24650
PNG
(4-N-(2,6-difluorobenzene)-3-N-[(3S)-piperidin-3-yl...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)N[C@H]1CCCNC1
Show InChI InChI=1S/C16H17F2N5O2/c17-10-4-1-5-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-3-2-6-19-7-9/h1,4-5,8-9,19H,2-3,6-7H2,(H,20,23)(H,21,25)(H,22,24)/t9-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclin B activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24650
PNG
(4-N-(2,6-difluorobenzene)-3-N-[(3S)-piperidin-3-yl...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)N[C@H]1CCCNC1
Show InChI InChI=1S/C16H17F2N5O2/c17-10-4-1-5-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-3-2-6-19-7-9/h1,4-5,8-9,19H,2-3,6-7H2,(H,20,23)(H,21,25)(H,22,24)/t9-/m0/s1
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n/an/a 44n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM24647
PNG
(4-N-(2,6-difluorobenzene)-3-N-(4-hydroxycyclohexyl...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F
Show InChI InChI=1S/C17H18F2N4O3/c18-11-2-1-3-12(19)14(11)16(25)22-13-8-20-23-15(13)17(26)21-9-4-6-10(24)7-5-9/h1-3,8-10,24H,4-7H2,(H,20,23)(H,21,26)(H,22,25)/t9-,10-
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n/an/a 45n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclin B activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24654
PNG
(4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-...)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 47n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM24646
PNG
(3-N-cyclohexyl-4-N-(2,6-difluorobenzene)-1H-pyrazo...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H18F2N4O2/c18-11-7-4-8-12(19)14(11)16(24)22-13-9-20-23-15(13)17(25)21-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 55n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclin B activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13344
PNG
(N-[4-Chloro-3-(3-pyridinyloxymethyl)phenyl]-3-fluo...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccc(Cl)c(COc2cccnc2)c1)N1CCOCC1
Show InChI InChI=1S/C23H21ClFN3O3/c24-22-4-3-19(11-17(22)15-31-21-2-1-5-26-14-21)27-23(29)16-10-18(25)13-20(12-16)28-6-8-30-9-7-28/h1-5,10-14H,6-9,15H2,(H,27,29)
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n/an/a 65n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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n/an/a 73n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24642
PNG
(4-N-cyclohexane-3-N-(4-fluorophenyl)-1H-pyrazole-3...)
Show SMILES Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)C2CCCCC2)cc1
Show InChI InChI=1S/C17H19FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h6-11H,1-5H2,(H,19,22)(H,20,24)(H,21,23)
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n/an/a 90n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24653
PNG
(4-N-(2-chloro-6-fluorobenzene)-3-N-(piperidin-4-yl...)
Show SMILES Fc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17ClFN5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 110n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24643
PNG
(4-N-benzene-3-N-(4-fluorophenyl)-1H-pyrazole-3,4-d...)
Show SMILES Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23)
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n/an/a 140n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24649
PNG
(4-N-(2,6-difluorobenzene)-3-N-(piperidin-4-yl)-1H-...)
Show SMILES Fc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17F2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 140n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16222
PNG
(CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...)
Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2
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n/an/a 170n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15218
PNG
(Isoquinoline-5-sulfonic acid (2S,4S)-(4-(4-chlorob...)
Show SMILES Clc1ccc(CO[C@@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM24654
PNG
(4-N-(2,6-dichlorobenzene)-3-N-(piperidin-4-yl)-1H-...)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 190n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclin B activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13354
PNG
(3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-1-(4-chl...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C20H21ClN4O/c1-20(2,3)17-13-18(25(24-17)16-7-5-4-6-8-16)23-19(26)22-15-11-9-14(21)10-12-15/h4-13H,1-3H3,(H2,22,23,26)
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n/an/a 196n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM15198
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3,4-dichlorobe...)
Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1Cl
Show InChI InChI=1S/C20H21Cl2N3O3S/c21-18-5-4-15(12-19(18)22)14-28-11-10-23-8-9-25-29(26,27)20-3-1-2-16-13-24-7-6-17(16)20/h1-7,12-13,23,25H,8-11,14H2
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n/an/a 210n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM12587
PNG
((2R,3S)-3-{[(3-chlorophenyl)methyl]amino}-2-hydrox...)
Show SMILES COc1cc(C)c(c(C)c1C)S(=O)(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NCc1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN2O4S/c1-18-13-26(34-4)19(2)20(3)27(18)35(32,33)30-17-25(31)24(15-21-9-6-5-7-10-21)29-16-22-11-8-12-23(28)14-22/h5-14,24-25,29-31H,15-17H2,1-4H3/t24-,25+/m0/s1
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n/an/a 220n/an/an/an/a8.022



Astex



Assay Description
The cleavage of the substrate was followed by monitoring the change in fluorescence at 460 nm (excitation at 365 nm) for 25 min at room temperature o...


J Med Chem 49: 1346-55 (2006)


Article DOI: 10.1021/jm050850v
BindingDB Entry DOI: 10.7270/Q20863J2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM16222
PNG
(CCT077373 | N-[2-({2-[(4-chlorobenzyl)oxy]ethyl}am...)
Show SMILES Clc1ccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2
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n/an/a 260n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 290n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15220
PNG
(4-Methylisoquinoline-5-sulfonic acid (2S,4S)-(2-(4...)
Show SMILES Cc1cncc2cccc(c12)S(=O)(=O)N[C@@H]1CN[C@H](COCc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C22H24ClN3O3S/c1-15-10-24-11-17-3-2-4-21(22(15)17)30(27,28)26-19-9-20(25-12-19)14-29-13-16-5-7-18(23)8-6-16/h2-8,10-11,19-20,25-26H,9,12-14H2,1H3/t19-,20-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13353
PNG
(3-fluoro-5-(morpholin-4-yl)-N-{1-[2-(pyridin-4-yl)...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccc2ccn(CCc3ccncc3)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H25FN4O2/c27-22-15-21(16-24(17-22)30-11-13-33-14-12-30)26(32)29-23-2-1-20-6-10-31(25(20)18-23)9-5-19-3-7-28-8-4-19/h1-4,6-8,10,15-18H,5,9,11-14H2,(H,29,32)
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n/an/a 340n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13345
PNG
(1-(5-tert-Butyl-2H-pyrazol-3-yl)-3-[4-chloro-3-(py...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)c(COc3cccnc3)c2)[nH]n1
Show InChI InChI=1S/C20H22ClN5O2/c1-20(2,3)17-10-18(26-25-17)24-19(27)23-14-6-7-16(21)13(9-14)12-28-15-5-4-8-22-11-15/h4-11H,12H2,1-3H3,(H3,23,24,25,26,27)
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n/an/a 350n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 370n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM15196
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3-chlorobenzyl...)
Show SMILES Clc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22ClN3O3S/c21-18-5-1-3-16(13-18)15-27-12-11-22-9-10-24-28(25,26)20-6-2-4-17-14-23-8-7-19(17)20/h1-8,13-14,22,24H,9-12,15H2
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n/an/a 370n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15216
PNG
(Isoquinoline-5-sulfonic acid (2S,4R)-(4-(4-chlorob...)
Show SMILES Clc1ccc(CO[C@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15196
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(3-chlorobenzyl...)
Show SMILES Clc1cccc(COCCNCCNS(=O)(=O)c2cccc3cnccc23)c1
Show InChI InChI=1S/C20H22ClN3O3S/c21-18-5-1-3-16(13-18)15-27-12-11-22-9-10-24-28(25,26)20-6-2-4-17-14-23-8-7-19(17)20/h1-8,13-14,22,24H,9-12,15H2
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n/an/a 410n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM15215
PNG
(Isoquinoline-5-sulfonic acid (2S,4S)-(2-(4-chlorob...)
Show SMILES Clc1ccc(COC[C@@H]2C[C@@H](CN2)NS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)13-28-14-19-10-18(12-24-19)25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The recombinant alpha catalytic subunit of bovine PKA was assayed with a peptide substrate and test compound in the presence of 40 uM ATP/ [gamma-33P...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM24648
PNG
(3-N-(4-aminocyclohexyl)-4-N-(2,6-difluorobenzene)-...)
Show SMILES N[C@H]1CC[C@@H](CC1)NC(=O)c1[nH]ncc1NC(=O)c1c(F)cccc1F
Show InChI InChI=1S/C17H19F2N5O2/c18-11-2-1-3-12(19)14(11)16(25)23-13-8-21-24-15(13)17(26)22-10-6-4-9(20)5-7-10/h1-3,8-10H,4-7,20H2,(H,21,24)(H,22,26)(H,23,25)/t9-,10-
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n/an/a 440n/an/an/an/an/an/a



Astex



Assay Description
CDK1/cyclin B activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM15218
PNG
(Isoquinoline-5-sulfonic acid (2S,4S)-(4-(4-chlorob...)
Show SMILES Clc1ccc(CO[C@@H]2CN[C@H](CNS(=O)(=O)c3cccc4cnccc34)C2)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19-/m0/s1
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n/an/a 480n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM15221
PNG
(1-Hydroxyisoquinoline-5-sulfonic acid (2S,4S)-(2-(...)
Show SMILES Clc1ccc(COC[C@@H]2C[C@@H](CN2)NS(=O)(=O)c2cccc3c2cc[nH]c3=O)cc1
Show InChI InChI=1S/C21H22ClN3O4S/c22-15-6-4-14(5-7-15)12-29-13-17-10-16(11-24-17)25-30(27,28)20-3-1-2-19-18(20)8-9-23-21(19)26/h1-9,16-17,24-25H,10-13H2,(H,23,26)/t16-,17-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM15192
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(2-methylbenzyl...)
Show SMILES Cc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C21H25N3O3S/c1-17-5-2-3-6-19(17)16-27-14-13-22-11-12-24-28(25,26)21-8-4-7-18-15-23-10-9-20(18)21/h2-10,15,22,24H,11-14,16H2,1H3
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n/an/a 570n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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n/an/a 590n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13351
PNG
(3-fluoro-5-(morpholin-4-yl)-N-{3-[2-(pyridin-4-yl)...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccc2[nH]cc(CCc3ccncc3)c2c1)N1CCOCC1
Show InChI InChI=1S/C26H25FN4O2/c27-21-13-20(14-23(15-21)31-9-11-33-12-10-31)26(32)30-22-3-4-25-24(16-22)19(17-29-25)2-1-18-5-7-28-8-6-18/h3-8,13-17,29H,1-2,9-12H2,(H,30,32)
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n/an/a 630n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24635
PNG
(N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide | ...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-22(20,21)10-7-5-9(6-8-10)16-14(19)13-11-3-1-2-4-12(11)17-18-13/h1-8H,(H,16,19)(H,17,18)(H2,15,20,21)
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n/an/a 660n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24640
PNG
(N-(4-fluorophenyl)-4-(2-hydroxyacetamido)-1H-pyraz...)
Show SMILES OCC(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C12H11FN4O3/c13-7-1-3-8(4-2-7)15-12(20)11-9(5-14-17-11)16-10(19)6-18/h1-5,18H,6H2,(H,14,17)(H,15,20)(H,16,19)
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n/an/a 730n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24651
PNG
(3-N-(piperidin-4-yl)-4-N-(2,4,6-trifluorobenzene)-...)
Show SMILES Fc1cc(F)c(C(=O)Nc2cn[nH]c2C(=O)NC2CCNCC2)c(F)c1
Show InChI InChI=1S/C16H16F3N5O2/c17-8-5-10(18)13(11(19)6-8)15(25)23-12-7-21-24-14(12)16(26)22-9-1-3-20-4-2-9/h5-7,9,20H,1-4H2,(H,21,24)(H,22,26)(H,23,25)
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n/an/a 750n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM15215
PNG
(Isoquinoline-5-sulfonic acid (2S,4S)-(2-(4-chlorob...)
Show SMILES Clc1ccc(COC[C@@H]2C[C@@H](CN2)NS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)13-28-14-19-10-18(12-24-19)25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM24639
PNG
(4-acetamido-N-(4-fluorophenyl)-1H-pyrazole-3-carbo...)
Show SMILES CC(=O)Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C12H11FN4O2/c1-7(18)15-10-6-14-17-11(10)12(19)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17)(H,15,18)(H,16,19)
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n/an/a 850n/an/an/an/a7.222



Astex



Assay Description
CDK2/cyclin A activity was determined using a radiometric assay to measure the incorporation of gamma-phosphate from [gamma-33P]-ATP into histone H1....


J Med Chem 51: 4986-99 (2008)


Article DOI: 10.1021/jm800382h
BindingDB Entry DOI: 10.7270/Q24X563W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM15195
PNG
(Isoquinoline-5-sulfonic acid (2-(2-(2-chlorobenzyl...)
Show SMILES Clc1ccccc1COCCNCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C20H22ClN3O3S/c21-19-6-2-1-4-17(19)15-27-13-12-22-10-11-24-28(25,26)20-7-3-5-16-14-23-9-8-18(16)20/h1-9,14,22,24H,10-13,15H2
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n/an/a 960n/an/an/an/a7.222



UK Centre for Cancer Therapeutics



Assay Description
The purified PKB beta enzyme was assayed with a peptide substrate and test compound in the presence of 30 uM ATP/ [gamma-33P]ATP in 96-well plates. I...


Bioorg Med Chem 14: 1255-73 (2006)


Article DOI: 10.1016/j.bmc.2005.09.055
BindingDB Entry DOI: 10.7270/Q2FN14F2
More data for this
Ligand-Target Pair
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