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PDB code 3TN8

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
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 9

  (329/329 = 100%)
(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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 9

  (329/329 = 100%)
(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
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



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.


Chem Biol Drug Des 84: 402-8 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output