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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 = 'BDBM50378315'   
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))
BDBM50378315
PNG
(CHEMBL578865)
Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)-c3ccc(Cl)s3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(31.05,-15.64,;32.07,-14.49,;33.58,-14.8,;31.59,-13.03,;32.48,-11.78,;31.57,-10.55,;30.11,-11.03,;28.78,-10.28,;28.77,-8.74,;27.43,-7.97,;26.1,-8.75,;26.11,-10.29,;24.78,-11.06,;23.44,-10.3,;23.43,-8.76,;24.75,-7.98,;22.11,-11.08,;21.95,-12.61,;20.45,-12.93,;19.67,-11.6,;18.14,-11.45,;20.7,-10.46,;27.44,-11.05,;27.45,-12.59,;26.12,-13.36,;26.13,-14.9,;27.46,-15.66,;27.46,-17.21,;26.12,-17.98,;26.13,-19.52,;24.79,-17.21,;24.79,-15.68,;28.79,-13.35,;30.12,-12.57,)|
Show InChI InChI=1S/C25H30ClN7S/c1-15(2)33-14-29-22-23(31-25(32-24(22)33)30-19-9-7-18(27)8-10-19)28-13-16-3-5-17(6-4-16)20-11-12-21(26)34-20/h3-6,11-12,14-15,18-19H,7-10,13,27H2,1-2H3,(H2,28,30,31,32)/t18-,19-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.300n/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