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Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'sansonna' and Initial = 'p'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7111
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r|
Show InChI InChI=1S/C18H21N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,19,25)(H2,20,21,22,24)/t11-/m0/s1
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n/an/a 2n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7107
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-oxo...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r|
Show InChI InChI=1S/C23H22N4O2/c1-14(22(28)24-21-12-20(25-26-21)16-6-7-16)15-8-10-18(11-9-15)27-13-17-4-2-3-5-19(17)23(27)29/h2-5,8-12,14,16H,6-7,13H2,1H3,(H2,24,25,26,28)/t14-/m0/s1
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n/an/a 2n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7163
PNG
(3-Phenylacetamidoaminopyrazole deriv. 40 | CS10 | ...)
Show SMILES O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)
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n/an/a 3n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7159
PNG
(3-Phenylacetamidoaminopyrazole deriv. 36 | N-(5-Cy...)
Show SMILES Fc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C20H18FN3O/c21-17-3-1-2-16(11-17)14-6-4-13(5-7-14)10-20(25)22-19-12-18(23-24-19)15-8-9-15/h1-7,11-12,15H,8-10H2,(H2,22,23,24,25)
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n/an/a 4n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7162
PNG
(3-Phenylacetamidoaminopyrazole deriv. 39 | 4 -{2-[...)
Show SMILES NC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C21H20N4O2/c22-21(27)17-9-5-15(6-10-17)14-3-1-13(2-4-14)11-20(26)23-19-12-18(24-25-19)16-7-8-16/h1-6,9-10,12,16H,7-8,11H2,(H2,22,27)(H2,23,24,25,26)
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n/an/a 4n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7160
PNG
(3-Phenylacetamidoaminopyrazole deriv. 37 | N-(5-Cy...)
Show SMILES Cc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C21H21N3O/c1-14-3-2-4-18(11-14)16-7-5-15(6-8-16)12-21(25)22-20-13-19(23-24-20)17-9-10-17/h2-8,11,13,17H,9-10,12H2,1H3,(H2,22,23,24,25)
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n/an/a 9n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7114
PNG
(3-Aminopyrazole deriv. 27 | N-(5-Cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cc[nH]c1=O
Show InChI InChI=1S/C18H19N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-11,13H,2-3H2,1H3,(H,19,25)(H2,20,21,22,24)
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n/an/a 11n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7161
PNG
(3-Phenylacetamidoaminopyrazole deriv. 38 | 4 -{2-[...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C21H19N3O3/c25-20(22-19-12-18(23-24-19)16-7-8-16)11-13-1-3-14(4-2-13)15-5-9-17(10-6-15)21(26)27/h1-6,9-10,12,16H,7-8,11H2,(H,26,27)(H2,22,23,24,25)
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n/an/a 11n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7121
PNG
(3-Aminopyrazole deriv. 36 | N-(5-Cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCS1(=O)=O
Show InChI InChI=1S/C18H22N4O3S/c1-12(18(23)19-17-11-16(20-21-17)14-3-4-14)13-5-7-15(8-6-13)22-9-2-10-26(22,24)25/h5-8,11-12,14H,2-4,9-10H2,1H3,(H2,19,20,21,23)
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n/an/a 13n/an/an/an/a7.422



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7112
PNG
(3-Aminopyrazole deriv. 25 | N-(5-cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cc(O)[nH]c1=O
Show InChI InChI=1S/C18H19N5O3/c1-10(17(25)19-15-8-14(21-22-15)12-2-3-12)11-4-6-13(7-5-11)23-9-16(24)20-18(23)26/h4-10,12,24H,2-3H2,1H3,(H,20,26)(H2,19,21,22,25)
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n/an/a 17n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7118
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-met...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCN(C)C1=O |r|
Show InChI InChI=1S/C19H23N5O2/c1-12(18(25)20-17-11-16(21-22-17)14-3-4-14)13-5-7-15(8-6-13)24-10-9-23(2)19(24)26/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H2,20,21,22,25)/t12-/m0/s1
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n/an/a 17n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7120
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCOC1=O |r|
Show InChI InChI=1S/C18H20N4O3/c1-11(17(23)19-16-10-15(20-21-16)13-2-3-13)12-4-6-14(7-5-12)22-8-9-25-18(22)24/h4-7,10-11,13H,2-3,8-9H2,1H3,(H2,19,20,21,23)/t11-/m0/s1
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n/an/a 20n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7103
PNG
(1-(4-{1-[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCC(C(N)=O)C1=O
Show InChI InChI=1S/C20H23N5O3/c1-11(19(27)22-17-10-16(23-24-17)13-2-3-13)12-4-6-14(7-5-12)25-9-8-15(18(21)26)20(25)28/h4-7,10-11,13,15H,2-3,8-9H2,1H3,(H2,21,26)(H2,22,23,24,27)
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n/an/a 20n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7155
PNG
(3-Phenylacetamidoaminopyrazole deriv. 32 | CHEMBL1...)
Show SMILES COc1cccc(CC(=O)Nc2cc(n[nH]2)C2CC2)c1
Show InChI InChI=1S/C15H17N3O2/c1-20-12-4-2-3-10(7-12)8-15(19)16-14-9-13(17-18-14)11-5-6-11/h2-4,7,9,11H,5-6,8H2,1H3,(H2,16,17,18,19)
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n/an/a 29n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7128
PNG
(3-Benzamidoaminopyrazole deriv. 5 | 4-bromo-N-(5-c...)
Show SMILES Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C13H12BrN3O/c14-10-5-3-9(4-6-10)13(18)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H2,15,16,17,18)
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n/an/a 34n/an/an/an/a7.422



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7108
PNG
((N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-naphthyl)a...)
Show SMILES O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)
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n/an/a 37n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7101
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1=O |r|
Show InChI InChI=1S/C19H22N4O2/c1-12(19(25)20-17-11-16(21-22-17)14-4-5-14)13-6-8-15(9-7-13)23-10-2-3-18(23)24/h6-9,11-12,14H,2-5,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1
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n/an/a 37n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7165
PNG
(3-Phenylacetamidoaminopyrazole deriv. 42 | N-(5-Cy...)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)13-8-9-13)10-14-6-3-5-12-4-1-2-7-15(12)14/h1-7,11,13H,8-10H2,(H2,19,20,21,22)
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n/an/a 38n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7153
PNG
(3-Phenylacetamidoaminopyrazole deriv. 30 | CHEMBL1...)
Show SMILES O=C(Cc1ccccc1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C14H15N3O/c18-14(8-10-4-2-1-3-5-10)15-13-9-12(16-17-13)11-6-7-11/h1-5,9,11H,6-8H2,(H2,15,16,17,18)
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n/an/a 48n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7143
PNG
(3-Benzamidoaminopyrazole deriv. 20 | 4-bromo-N-(5-...)
Show SMILES Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCCC1
Show InChI InChI=1S/C15H16BrN3O/c16-12-7-5-11(6-8-12)15(20)17-14-9-13(18-19-14)10-3-1-2-4-10/h5-10H,1-4H2,(H2,17,18,19,20)
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n/an/a 50n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7158
PNG
(2-(1,1 -Biphenyl-4-yl)-N-(5-cyclopropyl-1H-pyrazol...)
Show SMILES O=C(Cc1ccc(cc1)-c1ccccc1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C20H19N3O/c24-20(21-19-13-18(22-23-19)17-10-11-17)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,13,17H,10-12H2,(H2,21,22,23,24)
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n/an/a 56n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7157
PNG
(3-Phenylacetamidoaminopyrazole deriv. 34 | CHEMBL1...)
Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)
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n/an/a 67n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7132
PNG
(1-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzene-1,4-dic...)
Show SMILES NC(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C14H14N4O2/c15-13(19)9-3-5-10(6-4-9)14(20)16-12-7-11(17-18-12)8-1-2-8/h3-8H,1-2H2,(H2,15,19)(H2,16,17,18,20)
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n/an/a 68n/an/an/an/a7.422



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7115
PNG
(3-Aminopyrazole deriv. 28 | N-(5-Cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1cn[nH]c1=O
Show InChI InChI=1S/C17H18N6O2/c1-10(16(24)19-15-8-14(20-21-15)12-2-3-12)11-4-6-13(7-5-11)23-9-18-22-17(23)25/h4-10,12H,2-3H2,1H3,(H,22,25)(H2,19,20,21,24)
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n/an/a 73n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7154
PNG
(3-Phenylacetamidoaminopyrazole deriv. 31 | 4-{2-[(...)
Show SMILES NC(=O)c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1
Show InChI InChI=1S/C15H16N4O2/c16-15(21)11-3-1-9(2-4-11)7-14(20)17-13-8-12(18-19-13)10-5-6-10/h1-4,8,10H,5-7H2,(H2,16,21)(H2,17,18,19,20)
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n/an/a 74n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7109
PNG
(3-Aminopyrazole deriv. 21 | N-(5-cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1c(O)ccc1O
Show InChI InChI=1S/C19H20N4O3/c1-11(19(26)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-17(24)8-9-18(23)25/h4-11,13,24-25H,2-3H2,1H3,(H2,20,21,22,26)
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n/an/a 77n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7123
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrol...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1 |r|
Show InChI InChI=1S/C19H24N4O/c1-13(14-6-8-16(9-7-14)23-10-2-3-11-23)19(24)20-18-12-17(21-22-18)15-4-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,20,21,22,24)/t13-/m0/s1
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n/an/a 80n/an/an/an/a7.422



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7141
PNG
(3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benz...)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C13H11Cl2N3O/c14-9-4-3-8(5-10(9)15)13(19)16-12-6-11(17-18-12)7-1-2-7/h3-7H,1-2H2,(H2,16,17,18,19)
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n/an/a 83n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7098
PNG
((2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-phenylpro...)
Show SMILES C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1 |r|
Show InChI InChI=1S/C15H17N3O/c1-10(11-5-3-2-4-6-11)15(19)16-14-9-13(17-18-14)12-7-8-12/h2-6,9-10,12H,7-8H2,1H3,(H2,16,17,18,19)/t10-/m0/s1
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n/an/a 84n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7129
PNG
(3-Benzamidoaminopyrazole deriv. 6 | 4-chloro-N-(5-...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C13H12ClN3O/c14-10-5-3-9(4-6-10)13(18)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H2,15,16,17,18)
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n/an/a 85n/an/an/an/a7.422



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7142
PNG
(3-Benzamidoaminopyrazole deriv. 19 | 4-bromo-N-(5-...)
Show SMILES Brc1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CCC1
Show InChI InChI=1S/C14H14BrN3O/c15-11-6-4-10(5-7-11)14(19)16-13-8-12(17-18-13)9-2-1-3-9/h4-9H,1-3H2,(H2,16,17,18,19)
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n/an/a 90n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CDK2/CycE


(Homo sapiens (Human))
BDBM7108
PNG
((N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-naphthyl)a...)
Show SMILES O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)
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n/an/a 92n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7156
PNG
(3-Phenylacetamidoaminopyrazole deriv. 33 | N-(5-Cy...)
Show SMILES O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C20H26N4O2/c25-20(21-19-14-18(22-23-19)16-5-6-16)13-15-3-7-17(8-4-15)26-12-11-24-9-1-2-10-24/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H2,21,22,23,25)
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n/an/a 95n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7094
PNG
(3-Aminopyrazole deriv. 4 | N-(5-Cyclopropyl-1H-pyr...)
Show SMILES FC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccccc1
Show InChI InChI=1S/C14H14FN3O/c15-13(10-4-2-1-3-5-10)14(19)16-12-8-11(17-18-12)9-6-7-9/h1-5,8-9,13H,6-7H2,(H2,16,17,18,19)
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n/an/a 99n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7108
PNG
((N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-naphthyl)a...)
Show SMILES O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)
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n/an/a 114n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7113
PNG
(3-Aminopyrazole deriv. 26 | N-(5-Cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)-n1c(O)c[nH]c1=O
Show InChI InChI=1S/C18H19N5O3/c1-10(17(25)20-15-8-14(21-22-15)12-2-3-12)11-4-6-13(7-5-11)23-16(24)9-19-18(23)26/h4-10,12,24H,2-3H2,1H3,(H,19,26)(H2,20,21,22,25)
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n/an/a 124n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7104
PNG
(3-Aminopyrazole deriv. 16 | N-(5-Cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1C(C)CCC1=O
Show InChI InChI=1S/C20H24N4O2/c1-12-3-10-19(25)24(12)16-8-6-14(7-9-16)13(2)20(26)21-18-11-17(22-23-18)15-4-5-15/h6-9,11-13,15H,3-5,10H2,1-2H3,(H2,21,22,23,26)
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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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7131
PNG
(3-Benzamidoaminopyrazole deriv. 8 | 4-[(5-cyclopro...)
Show SMILES OC(=O)c1ccc(cc1)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C14H13N3O3/c18-13(9-3-5-10(6-4-9)14(19)20)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H,19,20)(H2,15,16,17,18)
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n/an/a 165n/an/an/an/a7.422



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7106
PNG
((2R)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-oxo...)
Show SMILES C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1Cc2ccccc2C1=O |r|
Show InChI InChI=1S/C23H22N4O2/c1-14(22(28)24-21-12-20(25-26-21)16-6-7-16)15-8-10-18(11-9-15)27-13-17-4-2-3-5-19(17)23(27)29/h2-5,8-12,14,16H,6-7,13H2,1H3,(H2,24,25,26,28)/t14-/m1/s1
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n/an/a 170n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7122
PNG
(3-Aminopyrazole deriv. 37 | N-(5-Cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C19H24N4O/c1-13(14-6-8-16(9-7-14)23-10-2-3-11-23)19(24)20-18-12-17(21-22-18)15-4-5-15/h6-9,12-13,15H,2-5,10-11H2,1H3,(H2,20,21,22,24)
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n/an/a 200n/an/an/an/a7.422



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7148
PNG
(3-Benzamidoaminopyrazole deriv. 25 | 4-bromo-N-[5-...)
Show SMILES CC(C)c1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
Show InChI InChI=1S/C13H14BrN3O/c1-8(2)11-7-12(17-16-11)15-13(18)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H2,15,16,17,18)
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n/an/a 200n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7105
PNG
(3-Aminopyrazole deriv. 17 | N-(5-Cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1C(CCC1=O)c1ccccc1
Show InChI InChI=1S/C25H26N4O2/c1-16(25(31)26-23-15-21(27-28-23)18-7-8-18)17-9-11-20(12-10-17)29-22(13-14-24(29)30)19-5-3-2-4-6-19/h2-6,9-12,15-16,18,22H,7-8,13-14H2,1H3,(H2,26,27,28,31)
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n/an/a 200n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7126
PNG
(3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...)
Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1
Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)
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n/an/a 224n/an/an/an/a7.422



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7102
PNG
(3-Aminopyrazole deriv. 14 | N-(5-Cyclopropyl-1H-py...)
Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C20H24N4O2/c1-13(20(26)21-18-12-17(22-23-18)15-5-6-15)14-7-9-16(10-8-14)24-11-3-2-4-19(24)25/h7-10,12-13,15H,2-6,11H2,1H3,(H2,21,22,23,26)
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n/an/a 240n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM7108
PNG
((N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-naphthyl)a...)
Show SMILES O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)
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n/an/a 270n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7127
PNG
(3-Benzamidoaminopyrazole deriv. 4 | CHEMBL324942 |...)
Show SMILES O=C(Nc1cc(n[nH]1)C1CC1)c1ccccc1
Show InChI InChI=1S/C13H13N3O/c17-13(10-4-2-1-3-5-10)14-12-8-11(15-16-12)9-6-7-9/h1-5,8-9H,6-7H2,(H2,14,15,16,17)
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n/an/a 290n/an/an/an/a7.422



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7110
PNG
((2R)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo...)
Show SMILES C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCNC1=O |r|
Show InChI InChI=1S/C18H21N5O2/c1-11(17(24)20-16-10-15(21-22-16)13-2-3-13)12-4-6-14(7-5-12)23-9-8-19-18(23)25/h4-7,10-11,13H,2-3,8-9H2,1H3,(H,19,25)(H2,20,21,22,24)/t11-/m1/s1
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n/an/a 455n/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...


J Med Chem 48: 2944-56 (2005)


Article DOI: 10.1021/jm0408870
BindingDB Entry DOI: 10.7270/Q2WQ020R
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7136
PNG
(3-Benzamidoaminopyrazole deriv. 13 | CHEMBL333605 ...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C14H12F3N3O/c15-14(16,17)10-3-1-2-9(6-10)13(21)18-12-7-11(19-20-12)8-4-5-8/h1-3,6-8H,4-5H2,(H2,18,19,20,21)
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n/an/a 500n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7135
PNG
(3-Benzamidoaminopyrazole deriv. 12 | CHEMBL420135 ...)
Show SMILES COc1cccc(c1)C(=O)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C14H15N3O2/c1-19-11-4-2-3-10(7-11)14(18)15-13-8-12(16-17-13)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H2,15,16,17,18)
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n/an/a 600n/an/an/an/a7.422



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM7146
PNG
(3-Benzamidoaminopyrazole deriv. 23 | 4-bromo-N-(5-...)
Show SMILES CCc1cc(NC(=O)c2ccc(Br)cc2)[nH]n1
Show InChI InChI=1S/C12H12BrN3O/c1-2-10-7-11(16-15-10)14-12(17)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3,(H2,14,15,16,17)
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n/an/a 630n/an/an/an/an/an/a



Pharmacia Italia



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...


J Med Chem 47: 3367-80 (2004)


Article DOI: 10.1021/jm031145u
BindingDB Entry DOI: 10.7270/Q2RX998G
More data for this
Ligand-Target Pair
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