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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'M-phase inducer phosphatase 1' and Ligand = 'BDBM50208827'   
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 1


(Homo sapiens (Human))
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
PDB
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Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Max-Planck-Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of human Cdc25A


Bioorg Med Chem 19: 2145-55 (2011)


Article DOI: 10.1016/j.bmc.2011.02.047
BindingDB Entry DOI: 10.7270/Q2BR8SHK
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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n/an/a 55n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Compound was evaluated for functional activation from channel currents at human Nicotinic acetylcholine receptor alpha-7 expressed in oocytes.


Eur J Med Chem 134: 316-333 (2017)


Article DOI: 10.1016/j.ejmech.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WD4311
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Montana State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Cdc25A (unknown origin) using OMFP as substrate measured every 30 sec for 10 mins by fluorometric assay


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111719
BindingDB Entry DOI: 10.7270/Q2D221X9
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
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n/an/a 5.49E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of Cdc25A (336-523) (unknown origin) expressed in Escherichia coli


J Med Chem 51: 5533-41 (2008)


Article DOI: 10.1021/jm701157g
BindingDB Entry DOI: 10.7270/Q20V8CMW
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))
BDBM50208827
PNG
(2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione |...)
Show SMILES OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O |c:4|
Show InChI InChI=1S/C14H14O4S2/c15-5-7-19-13-11(17)9-3-1-2-4-10(9)12(18)14(13)20-8-6-16/h1-4,15-16H,5-8H2
PDB
MMDB

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CHEMBL
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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Sejong University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged human Cdc25A (336-523) catalytic domain expressed in Escherichia coli after 20 mins by fluorescent plate reader...


Bioorg Med Chem Lett 19: 4330-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.084
BindingDB Entry DOI: 10.7270/Q2NZ87P2
More data for this
Ligand-Target Pair