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4 similar compounds to monomer 12028

Compile data set for download or QSAR
Wt: 202.2
BDBM12024
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Wt: 218.2
BDBM12027
Wt: 202.2
BDBM60141
Wt: 218.2
BDBM50352019
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 12024,12027,60141,50352019   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM12024
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 1b | 4-[(E)-2-ph...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccccc1
Show InChI InChI=1S/C9H10N6/c10-8-7(9(11)15-14-8)13-12-6-4-2-1-3-5-6/h1-5H,(H5,10,11,14,15)/b13-12+
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.230



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM12027
PNG
(3-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1cccc(O)c1
Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-2-1-3-6(16)4-5/h1-4,16H,(H5,10,11,14,15)/b13-12+
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n/an/a>1.00E+5n/an/an/an/a7.230



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12024
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 1b | 4-[(E)-2-ph...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccccc1
Show InChI InChI=1S/C9H10N6/c10-8-7(9(11)15-14-8)13-12-6-4-2-1-3-5-6/h1-5H,(H5,10,11,14,15)/b13-12+
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PubMed
n/an/a 1.00E+5n/an/an/an/a7.230



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM12027
PNG
(3-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1cccc(O)c1
Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-2-1-3-6(16)4-5/h1-4,16H,(H5,10,11,14,15)/b13-12+
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n/an/a 5.10E+4n/an/an/an/a7.230



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM12024
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 1b | 4-[(E)-2-ph...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccccc1
Show InChI InChI=1S/C9H10N6/c10-8-7(9(11)15-14-8)13-12-6-4-2-1-3-5-6/h1-5H,(H5,10,11,14,15)/b13-12+
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.230



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM12027
PNG
(3-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1cccc(O)c1
Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-2-1-3-6(16)4-5/h1-4,16H,(H5,10,11,14,15)/b13-12+
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PubMed
n/an/a 5.60E+4n/an/an/an/a7.230



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM50352019
PNG
(CHEMBL1823556)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1
Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)
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Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Palack£ University& Institute of Experimental Botany ASCR

Curated by ChEMBL


Assay Description
Inhibition of CDK9 by [33P]gamma-ATP incorporation assay


Eur J Med Chem 46: 4289-94 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.035
BindingDB Entry DOI: 10.7270/Q22J6C7Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM12027
PNG
(3-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1cccc(O)c1
Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-2-1-3-6(16)4-5/h1-4,16H,(H5,10,11,14,15)/b13-12+
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n/an/a>1.00E+5n/an/an/an/an/a30



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12024
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 1b | 4-[(E)-2-ph...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccccc1
Show InChI InChI=1S/C9H10N6/c10-8-7(9(11)15-14-8)13-12-6-4-2-1-3-5-6/h1-5H,(H5,10,11,14,15)/b13-12+
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n/an/a>1.00E+5n/an/an/an/an/a30



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12027
PNG
(3-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1cccc(O)c1
Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-2-1-3-6(16)4-5/h1-4,16H,(H5,10,11,14,15)/b13-12+
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PubMed
n/an/a 8.20E+4n/an/an/an/an/a30



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM12024
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 1b | 4-[(E)-2-ph...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccccc1
Show InChI InChI=1S/C9H10N6/c10-8-7(9(11)15-14-8)13-12-6-4-2-1-3-5-6/h1-5H,(H5,10,11,14,15)/b13-12+
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PubMed
n/an/a 1.50E+4n/an/an/an/an/a30



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM12027
PNG
(3-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1cccc(O)c1
Show InChI InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-2-1-3-6(16)4-5/h1-4,16H,(H5,10,11,14,15)/b13-12+
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PubMed
n/an/a 1.50E+3n/an/an/an/an/a30



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM60141
PNG
(4-(phenylhydrazinylidene)pyrazole-3,5-diamine | ML...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccccc1
Show InChI InChI=1S/C9H10N6/c10-8-7(9(11)15-14-8)13-12-6-4-2-1-3-5-6/h1-5H,(H5,10,11,14,15)/b13-12+
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PCBioAssay
n/an/a 7.03E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM12024
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 1b | 4-[(E)-2-ph...)
Show SMILES Nc1n[nH]c(N)c1\N=N\c1ccccc1
Show InChI InChI=1S/C9H10N6/c10-8-7(9(11)15-14-8)13-12-6-4-2-1-3-5-6/h1-5H,(H5,10,11,14,15)/b13-12+
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PubMed
n/an/a>1.00E+5n/an/an/an/an/a30



Palacky University



Assay Description
In vitro CDK assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P...


J Med Chem 49: 6500-9 (2006)


Article DOI: 10.1021/jm0605740
BindingDB Entry DOI: 10.7270/Q2M61HHK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)