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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 = 'BDBM50378319'   
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))
BDBM50378319
PNG
(CHEMBL568303)
Show SMILES CC(C)n1cnc2c(NCc3ccc(nc3)-c3cccs3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:24.25,wD:27.29,(30.87,-45.55,;31.89,-44.4,;33.4,-44.7,;31.4,-42.94,;32.29,-41.69,;31.38,-40.45,;29.92,-40.94,;28.59,-40.18,;28.58,-38.64,;27.24,-37.88,;25.91,-38.65,;24.58,-37.89,;23.25,-38.67,;23.26,-40.21,;24.61,-40.97,;25.93,-40.19,;21.93,-40.99,;21.78,-42.52,;20.27,-42.85,;19.49,-41.52,;20.52,-40.37,;27.26,-40.96,;27.26,-42.49,;25.93,-43.27,;25.94,-44.81,;27.27,-45.57,;27.27,-47.12,;25.94,-47.89,;25.94,-49.43,;24.6,-47.12,;24.6,-45.58,;28.6,-43.26,;29.94,-42.47,)|
Show InChI InChI=1S/C24H30N8S/c1-15(2)32-14-28-21-22(27-13-16-5-10-19(26-12-16)20-4-3-11-33-20)30-24(31-23(21)32)29-18-8-6-17(25)7-9-18/h3-5,10-12,14-15,17-18H,6-9,13,25H2,1-2H3,(H2,27,29,30,31)/t17-,18-
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