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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 = 'BDBM50378293'   
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))
BDBM50378293
PNG
(CHEMBL566550)
Show SMILES CC(C)n1cnc2c(NCc3ccc(s3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:23.24,wD:26.28,(29.82,-30.94,;30.84,-29.79,;32.35,-30.1,;30.35,-28.33,;31.24,-27.08,;30.33,-25.84,;28.87,-26.33,;27.54,-25.57,;27.53,-24.03,;26.19,-23.27,;24.86,-24.05,;24.71,-25.59,;23.2,-25.91,;22.43,-24.58,;23.45,-23.43,;20.89,-24.59,;19.98,-25.84,;18.52,-25.36,;18.52,-23.82,;19.98,-23.35,;26.21,-26.35,;26.21,-27.89,;24.88,-28.66,;24.89,-30.2,;26.22,-30.96,;26.22,-32.51,;24.89,-33.28,;24.89,-34.82,;23.55,-32.51,;23.55,-30.98,;27.55,-28.65,;28.89,-27.87,)|
Show InChI InChI=1S/C23H29N7S2/c1-14(2)30-13-26-20-21(25-12-17-9-10-19(32-17)18-4-3-11-31-18)28-23(29-22(20)30)27-16-7-5-15(24)6-8-16/h3-4,9-11,13-16H,5-8,12,24H2,1-2H3,(H2,25,27,28,29)/t15-,16-
PDB

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0600n/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