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PDB code 4EOK

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 2

  (294/297 = 99%)
(Homo sapiens (Human))
BDBM50235342
PNG
(CHEMBL319467 | NU-6102)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
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n/an/a 5n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against angiotensin-converting enzyme


J Med Chem 60: 1746-1767 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01254
BindingDB Entry DOI: 10.7270/Q2833V86
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2

  (294/297 = 99%)
(Homo sapiens (Human))
BDBM50235342
PNG
(CHEMBL319467 | NU-6102)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
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NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A (unknown origin)


J Med Chem 61: 9791-9810 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q
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