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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CDK2/CycE' and Ligand = 'BDBM5727'   
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/CycE


(Homo sapiens (Human))
BDBM5727
PNG
(2-aminothiazole 23 | N-{4-[(5-{[(5-tert-butyl-1,3-...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(Nc3ccc(cc3)S(=O)(=O)NCCO)s2)o1
Show InChI InChI=1S/C19H24N4O4S3/c1-19(2,3)15-10-20-16(27-15)12-28-17-11-21-18(29-17)23-13-4-6-14(7-5-13)30(25,26)22-8-9-24/h4-7,10-11,22,24H,8-9,12H2,1-3H3,(H,21,23)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2n/an/an/an/a8.030



Bristol-Myers Squibb Company



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


Bioorg Med Chem Lett 14: 2973-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.105
BindingDB Entry DOI: 10.7270/Q27942WW
More data for this
Ligand-Target Pair