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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CDK2/CycE' and Ligand = 'BDBM5616'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDK2/CycE


(Homo sapiens (Human))
BDBM5616
PNG
(2-[4-(aminomethyl)piperidin-1-yl]-N-{3-[4-(morphol...)
Show SMILES NCC1CCN(CC(=O)Nc2cccc3-c4n[nH]c(c4C(=O)c23)-c2ccc(cc2)N2CCOCC2)CC1
Show InChI InChI=1S/C28H32N6O3/c29-16-18-8-10-33(11-9-18)17-23(35)30-22-3-1-2-21-24(22)28(36)25-26(31-32-27(21)25)19-4-6-20(7-5-19)34-12-14-37-15-13-34/h1-7,18H,8-17,29H2,(H,30,35)(H,31,32)
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Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate GST-Rb in the presence of 50 uM ATP/[gamma-32P] ATP, and capturing the 32-P labeled reaction products on GSH-Se...


J Med Chem 45: 5233-48 (2002)


Article DOI: 10.1021/jm0201722
BindingDB Entry DOI: 10.7270/Q2MG7MQJ
More data for this
Ligand-Target Pair