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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CDK2/Cyclin E/G1/S-specific cyclin E2' and Ligand = 'BDBM50378289'   
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 E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM50378289
PNG
(CHEMBL565705)
Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3ccccc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(1.05,-1.82,;2.08,-.67,;3.58,-.98,;1.59,.79,;2.48,2.04,;1.57,3.28,;.11,2.79,;-1.22,3.55,;-1.23,5.09,;-2.57,5.85,;-3.9,5.07,;-3.89,3.53,;-5.22,2.76,;-6.56,3.53,;-6.57,5.06,;-5.24,5.84,;-7.89,2.75,;-9.23,3.52,;-10.56,2.74,;-10.55,1.2,;-9.2,.44,;-7.88,1.21,;-2.56,2.77,;-2.55,1.23,;-3.88,.46,;-3.87,-1.08,;-2.54,-1.84,;-2.54,-3.39,;-3.87,-4.16,;-3.87,-5.7,;-5.21,-3.39,;-5.21,-1.86,;-1.21,.47,;.12,1.25,)|
Show InChI InChI=1S/C26H32N8/c1-17(2)34-16-30-23-24(32-26(33-25(23)34)31-21-11-9-20(27)10-12-21)29-15-18-8-13-22(28-14-18)19-6-4-3-5-7-19/h3-8,13-14,16-17,20-21H,9-12,15,27H2,1-2H3,(H2,29,31,32,33)/t20-,21-
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of Cdk2/cyclinE


Bioorg Med Chem Lett 19: 6613-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.011
BindingDB Entry DOI: 10.7270/Q2M32WPQ
More data for this
Ligand-Target Pair