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11 molecules are shown

Compile data set for download or QSAR
Wt: 426.4
BDBM7232
Wt: 356.3
BDBM7167
Wt: 384.4
BDBM7171
Wt: 412.4
BDBM7173
Wt: 439.4
BDBM7175
Wt: 355.3
BDBM7177
Wt: 201.1
BDBM7179
Wt: 215.2
BDBM7212
Wt: 237.2
BDBM24634
Purchase
Wt: 316.3
BDBM24635
Wt: 187.1
BDBM24636

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 7232,7167,7171,7173,7175,7177,7179,7212,24634,24635,24636   
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))
BDBM7167
PNG
(3-(4-sulfamoylphenyl)-3,4,10,11-tetraazatricyclo[7...)
Show SMILES NC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2c1ccc1[nH]ncc21
Show InChI InChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7H,(H2,16,22)(H,18,19)(H2,17,23,24)
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Article
PubMed
n/an/a 0.300n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 15: 1315-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.023
BindingDB Entry DOI: 10.7270/Q2N58JKH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7171
PNG
(3-[4-(dimethylsulfamoyl)phenyl]-3,4,10,11-tetraaza...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
Show InChI InChI=1S/C17H16N6O3S/c1-22(2)27(25,26)11-5-3-10(4-6-11)23-16-12(15(21-23)17(18)24)7-8-14-13(16)9-19-20-14/h3-9H,1-2H3,(H2,18,24)(H,19,20)
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n/an/a 10n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 15: 1315-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.023
BindingDB Entry DOI: 10.7270/Q2N58JKH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7173
PNG
(3-[4-(butylsulfamoyl)phenyl]-3,4,10,11-tetraazatri...)
Show SMILES CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
Show InChI InChI=1S/C19H20N6O3S/c1-2-3-10-22-29(27,28)13-6-4-12(5-7-13)25-18-14(17(24-25)19(20)26)8-9-16-15(18)11-21-23-16/h4-9,11,22H,2-3,10H2,1H3,(H2,20,26)(H,21,23)
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n/an/a 2n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 15: 1315-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.023
BindingDB Entry DOI: 10.7270/Q2N58JKH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7175
PNG
(3-{4-[(4-methylpiperazine-1-)sulfonyl]phenyl}-3,4,...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
Show InChI InChI=1S/C20H21N7O3S/c1-25-8-10-26(11-9-25)31(29,30)14-4-2-13(3-5-14)27-19-15(18(24-27)20(21)28)6-7-17-16(19)12-22-23-17/h2-7,12H,8-11H2,1H3,(H2,21,28)(H,22,23)
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n/an/a 150n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 15: 1315-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.023
BindingDB Entry DOI: 10.7270/Q2N58JKH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7177
PNG
(3-(4-methanesulfonylphenyl)-3,4,10,11-tetraazatric...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12
Show InChI InChI=1S/C16H13N5O3S/c1-25(23,24)10-4-2-9(3-5-10)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-8H,1H3,(H2,17,22)(H,18,19)
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n/an/a 1n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 15: 1315-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.023
BindingDB Entry DOI: 10.7270/Q2N58JKH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM7179
PNG
(3,4,10,11-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(...)
Show SMILES NC(=O)c1nnc2c3c[nH][nH]c3ccc12
Show InChI InChI=1S/C9H7N5O/c10-9(15)8-4-1-2-6-5(3-11-12-6)7(4)13-14-8/h1-3,11-12H,(H2,10,15)
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n/an/a 78n/an/an/an/a7.422



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 15: 1315-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.023
BindingDB Entry DOI: 10.7270/Q2N58JKH
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))
BDBM7232
PNG
(3-[4-(butylsulfamoyl)phenyl]-N-methyl-3,4,10,11-te...)
Show SMILES CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)NC)c2ccc3[nH]ncc3c12
Show InChI InChI=1S/C20H22N6O3S/c1-3-4-11-23-30(28,29)14-7-5-13(6-8-14)26-19-15(18(25-26)20(27)21-2)9-10-17-16(19)12-22-24-17/h5-10,12,23H,3-4,11H2,1-2H3,(H,21,27)(H,22,24)
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n/an/a 160n/an/an/an/an/an/a



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 15: 1315-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.023
BindingDB Entry DOI: 10.7270/Q2N58JKH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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)
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))
BDBM7212
PNG
(3-methyl-3,4,10,11-tetraazatricyclo[7.3.0.0^{2,6}]...)
Show SMILES Cn1nc(C(N)=O)c2ccc3[nH]ncc3c12
Show InChI InChI=1S/C10H9N5O/c1-15-9-5(8(14-15)10(11)16)2-3-7-6(9)4-12-13-7/h2-4H,1H3,(H2,11,16)(H,12,13)
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n/an/a 18n/an/an/an/an/an/a



Nerviano Medical Sciences



Assay Description
The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...


Bioorg Med Chem Lett 15: 1315-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.023
BindingDB Entry DOI: 10.7270/Q2N58JKH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)