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PDB code 3TIY

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
CDK2/Cyclin A/Cyclin A1

  (298/298 = 100%)
(Homo sapiens (Human))
BDBM50088360
PNG
(2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one | 2,...)
Show SMILES Oc1cc2cccc(O)c(=O)c2c(O)c1O
Show InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human CDK2/cyclinA using PKTPKKAKKL as substrate in presence of ATP


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
3D
3D Structure (crystal)
Cyclin-dependent kinase 2

  (298/298 = 100%)
(Homo sapiens (Human))
BDBM50088360
PNG
(2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one | 2,...)
Show SMILES Oc1cc2cccc(O)c(=O)c2c(O)c1O
Show InChI InChI=1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
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CHEBI
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PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Moffitt Cancer Center and Research Institute



Assay Description
The inhibitory against activated CDK2-cyclin A2 complex was determined by using the ADP Quest fluorescence assay from (DiscoveRX, Fremont, CA)


Chembiochem 13: 2128-36 (2012)


Article DOI: 10.1002/cbic.201200316
BindingDB Entry DOI: 10.7270/Q2154FN2
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