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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 = 'BDBM50307551'   
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))
BDBM50307551
PNG
(1-Methyl-8-{[3-(4-methylpiperazin-1-yl)benzyl]amin...)
Show SMILES CN1CCN(CC1)c1cccc(CNc2ncc3CCc4c(nn(C)c4-c3n2)C(N)=O)c1
Show InChI InChI=1S/C23H28N8O/c1-29-8-10-31(11-9-29)17-5-3-4-15(12-17)13-25-23-26-14-16-6-7-18-20(22(24)32)28-30(2)21(18)19(16)27-23/h3-5,12,14H,6-11,13H2,1-2H3,(H2,24,32)(H,25,26,27)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 104n/an/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A


J Med Chem 53: 2171-87 (2010)


Article DOI: 10.1021/jm901710h
BindingDB Entry DOI: 10.7270/Q2N879W9
More data for this
Ligand-Target Pair