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BDBM12028 4-Arylazo-3,5-diamino-1H-pyrazole 31b::4-[(E)-2-(3,5-diamino-1H-pyrazol-4-yl)diazen-1-yl]phenol::CAN508

SMILES: Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1

InChI Key: InChIKey=AYZRKFOEZQBUEA-OUKQBFOZSA-N

Data: 2 KI  11 IC50

PDB links: 4 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 12028   
Target
(Institution)
LigandTarget
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 9 (CDK9)


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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Article
PubMed
350n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK9/Cyclin T (1 to 330 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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Article
PubMed
6.90E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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n/an/a 1.35E+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...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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Article
PubMed
n/an/a 6.90E+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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 7 (CDK7)


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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Article
PubMed
n/an/a 2.60E+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...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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Article
PubMed
n/an/a 350n/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Institute of Experimental Botany ASCR and Palacky University



Assay Description
Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 4/cyclin D2


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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Article
PubMed
n/an/a 1.35E+4n/an/an/an/an/an/a



Institute of Experimental Botany ASCR and Palacky University



Assay Description
Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.


Citation and Details
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Institute of Experimental Botany ASCR and Palacky University



Assay Description
Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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PubMed
n/an/a 350n/an/an/an/an/an/a



Institute of Experimental Botany ASCR and Palacky University



Assay Description
Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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Article
PubMed
n/an/a 2.00E+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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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PubMed
n/an/a 4.40E+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...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (human))
BDBM12028
PNG
(4-Arylazo-3,5-diamino-1H-pyrazole 31b | 4-[(E)-2-(...)
Show SMILES Nc1n[nH]c(N)c1N=Nc1ccc(O)cc1 |w:8.9|
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)/b13-12+
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Article
PubMed
n/an/a 4.40E+4n/an/an/an/an/an/a



Institute of Experimental Botany ASCR and Palacky University



Assay Description
Cyclin-dependent kinase selectivity was evaluated using CDK1-cyclin B, CDK2-cyclin E, CDK4-cyclin D1, CDK7-cyclin H, and CDK9-cyclin T1.


Citation and Details
More data for this
Ligand-Target Pair