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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2' and Ligand = 'BDBM50424999'   
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-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50424999
PNG
(CHEMBL2312193)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O2S/c1-21-20-25-17(13-6-3-2-4-7-13)18(29-20)16-10-11-22-19(24-16)23-14-8-5-9-15(12-14)26(27)28/h2-12H,1H3,(H,21,25)(H,22,23,24)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6 tagged CDK2/Cyclin A expressed in Sf21 insect cells after 40 mins by scintillation counting analysis


J Med Chem 56: 640-59 (2013)


Article DOI: 10.1021/jm301475f
BindingDB Entry DOI: 10.7270/Q26D5VBB
More data for this
Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50424999
PNG
(CHEMBL2312193)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O2S/c1-21-20-25-17(13-6-3-2-4-7-13)18(29-20)16-10-11-22-19(24-16)23-14-8-5-9-15(12-14)26(27)28/h2-12H,1H3,(H,21,25)(H,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A (174 to 432 amino acid residues) (unknown origin) by differential scanning fluorimetry assay


J Med Chem 56: 660-70 (2013)


Article DOI: 10.1021/jm301495v
BindingDB Entry DOI: 10.7270/Q28G8N18
More data for this
Ligand-Target Pair