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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM60927'   
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


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
PDB
MMDB

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MCE
KEGG
PC cid
PC sid
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PDB
Article
PubMed
n/an/an/a 3.70E+4n/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity to human Cdk2 by fluorescence spectroscopy


Bioorg Med Chem 19: 6743-9 (2011)


Article DOI: 10.1016/j.bmc.2011.09.049
BindingDB Entry DOI: 10.7270/Q2VD6ZXG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
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KEGG

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MCE
KEGG
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/an/a 3.70E+4n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02190
BindingDB Entry DOI: 10.7270/Q2BV7MPD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM60927
PNG
(1-anilinonaphthalene-8-sulfonic acid | 8-Anilino-1...)
Show SMILES OS(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12
Show InChI InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/a 3.70E+4n/an/an/an/an/a



The First Affiliated Hospital of Zhengzhou University

Curated by ChEMBL


Assay Description
Binding affinity to CDK2 (unknown origin)


Eur J Med Chem 164: 615-639 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.003
BindingDB Entry DOI: 10.7270/Q2C53QDZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)