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10 molecules are shown

Wt: 237.2
BDBM24634
Purchase
Wt: 316.3
BDBM24635
Wt: 187.1
BDBM24636
Wt: 220.2
BDBM24638
Wt: 262.2
BDBM24639
Wt: 278.2
BDBM24640
Wt: 338.3
BDBM24641
Wt: 330.3
BDBM24642
Wt: 324.3
BDBM24643
Wt: 360.2
BDBM24644

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 24634,24635,24636,24638,24639,24640,24641,24642,24643,24644   
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 2 (CDK2)


(Homo sapiens (human))
BDBM24634
PNG
(N-phenyl-1H-indazole-3-carboxamide | indazole amid...)
Show SMILES O=C(Nc1ccccc1)c1n[nH]c2ccccc12
Show InChI InChI=1S/C14H11N3O/c18-14(15-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)16-17-13/h1-9H,(H,15,18)(H,16,17)
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n/an/a 3.00E+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 (docked)
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))
BDBM24636
PNG
(N-phenyl-1H-pyrazole-3-carboxamide | pyrazole amid...)
Show SMILES O=C(Nc1ccccc1)c1ccn[nH]1
Show InChI InChI=1S/C10H9N3O/c14-10(9-6-7-11-13-9)12-8-4-2-1-3-5-8/h1-7H,(H,11,13)(H,12,14)
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n/an/a 9.70E+4n/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))
BDBM24638
PNG
(4-amino-N-(4-fluorophenyl)-1H-pyrazole-3-carboxami...)
Show SMILES Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C10H9FN4O/c11-6-1-3-7(4-2-6)14-10(16)9-8(12)5-13-15-9/h1-5H,12H2,(H,13,15)(H,14,16)
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n/an/a 8.50E+4n/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))
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)
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)
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM24634
PNG
(N-phenyl-1H-indazole-3-carboxamide | indazole amid...)
Show SMILES O=C(Nc1ccccc1)c1n[nH]c2ccccc12
Show InChI InChI=1S/C14H11N3O/c18-14(15-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)16-17-13/h1-9H,(H,15,18)(H,16,17)
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n/an/a 350n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged FLT3 cytoplasmic domain (564 to 993 residues) expressed in baculovirus expression system using fluorescence...


Bioorg Med Chem Lett 26: 2370-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.006
BindingDB Entry DOI: 10.7270/Q2TX3H89
More data for this
Ligand-Target Pair
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))
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))
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)
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)
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human)-Homo sapiens (Human))
BDBM24634
PNG
(N-phenyl-1H-indazole-3-carboxamide | indazole amid...)
Show SMILES O=C(Nc1ccccc1)c1n[nH]c2ccccc12
Show InChI InChI=1S/C14H11N3O/c18-14(15-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)16-17-13/h1-9H,(H,15,18)(H,16,17)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A (unknown origin) by radiometric filter binding assay


Bioorg Med Chem Lett 25: 3420-35 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.100
BindingDB Entry DOI: 10.7270/Q2736SQ1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM24634
PNG
(N-phenyl-1H-indazole-3-carboxamide | indazole amid...)
Show SMILES O=C(Nc1ccccc1)c1n[nH]c2ccccc12
Show InChI InChI=1S/C14H11N3O/c18-14(15-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)16-17-13/h1-9H,(H,15,18)(H,16,17)
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n/an/a 417n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged FLT3 cytoplasmic domain (564 to 993 residues) expressed in baculovirus expression system using 5-FAM-peptid...


Bioorg Med Chem Lett 26: 2370-4 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.006
BindingDB Entry DOI: 10.7270/Q2TX3H89
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM24641
PNG
(N-(4-fluorophenyl)-4-(2-phenylacetamido)-1H-pyrazo...)
Show SMILES Fc1ccc(NC(=O)c2[nH]ncc2NC(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C18H15FN4O2/c19-13-6-8-14(9-7-13)21-18(25)17-15(11-20-23-17)22-16(24)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,23)(H,21,25)(H,22,24)
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n/an/a 1.60E+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 (docked)