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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 14 entry = 50013356   
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
M-phase inducer phosphatase 2


(Homo sapiens (Human))
BDBM50129574
PNG
(2,5-Dihydroxy-3-[7-(3-methyl-but-2-enyl)-1H-indol-...)
Show SMILES CC(C)=CCc1cccc2c(c[nH]c12)C1C(=O)C(=O)CC(=O)C1=O |(-1.02,-4.51,;.5,-4.74,;1.06,-6.18,;1.45,-3.53,;2.98,-3.76,;3.94,-2.56,;3.37,-1.13,;4.32,.06,;5.86,-.17,;6.42,-1.59,;7.86,-2.15,;7.79,-3.67,;6.3,-4.06,;5.46,-2.8,;9.17,-1.35,;9.15,.2,;7.79,.97,;10.47,.98,;10.43,2.52,;11.82,.23,;11.84,-1.31,;13.2,-2.08,;10.52,-2.11,;10.52,-3.65,)|
Show InChI InChI=1S/C19H17NO4/c1-10(2)6-7-11-4-3-5-12-13(9-20-17(11)12)16-18(23)14(21)8-15(22)19(16)24/h3-6,9,16,20H,7-8H2,1-2H3
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MMDB

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Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against mutant R544L of Cell division cycle 25B was determined


J Med Chem 46: 2580-8 (2003)


Article DOI: 10.1021/jm0300835
BindingDB Entry DOI: 10.7270/Q2RJ4HVW
More data for this
Ligand-Target Pair