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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CDK2/Cyclin A/Cyclin A1' and Ligand = 'BDBM50425007'   
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


(Homo sapiens (Human))
BDBM50425007
PNG
(CHEMBL2312186)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C20H21N7O3S2/c1-13-18(31-20(22-2)24-13)17-14(11-21)12-23-19(26-17)25-15-3-5-16(6-4-15)32(28,29)27-7-9-30-10-8-27/h3-6,12H,7-10H2,1-2H3,(H,22,24)(H,23,25,26)
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PC cid
PC sid
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Similars

Article
PubMed
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