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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 = 'BDBM50444925'   
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))
BDBM50444925
PNG
(CHEMBL3099746)
Show SMILES OC(=O)c1cc(nc2ccc(cc12)-c1cccs1)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C23H18N2O4S/c26-16-6-3-14(4-7-16)9-10-24-22(27)20-13-18(23(28)29)17-12-15(5-8-19(17)25-20)21-2-1-11-30-21/h1-8,11-13,26H,9-10H2,(H,24,27)(H,28,29)
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PC cid
PC sid
UniChem
Article
PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay


Bioorg Med Chem Lett 24: 199-203 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.041
BindingDB Entry DOI: 10.7270/Q2SN0BF8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50444925
PNG
(CHEMBL3099746)
Show SMILES OC(=O)c1cc(nc2ccc(cc12)-c1cccs1)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C23H18N2O4S/c26-16-6-3-14(4-7-16)9-10-24-22(27)20-13-18(23(28)29)17-12-15(5-8-19(17)25-20)21-2-1-11-30-21/h1-8,11-13,26H,9-10H2,(H,24,27)(H,28,29)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/a25



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)-cyclin A interaction preincubated for 30 mins at room temperature followed by incubation at 40 degC for 30 mins b...


Bioorg Med Chem Lett 24: 199-203 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.041
BindingDB Entry DOI: 10.7270/Q2SN0BF8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50444925
PNG
(CHEMBL3099746)
Show SMILES OC(=O)c1cc(nc2ccc(cc12)-c1cccs1)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C23H18N2O4S/c26-16-6-3-14(4-7-16)9-10-24-22(27)20-13-18(23(28)29)17-12-15(5-8-19(17)25-20)21-2-1-11-30-21/h1-8,11-13,26H,9-10H2,(H,24,27)(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>4.00E+4n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to CDK2 (unknown origin) at 20 to 80 degC by circular dichroism analysis


Bioorg Med Chem Lett 24: 199-203 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.041
BindingDB Entry DOI: 10.7270/Q2SN0BF8
More data for this
Ligand-Target Pair