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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 25725   
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
Epoxide hydrolase B


(Mycobacterium tuberculosis)
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
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Article
PubMed
n/an/a 19n/an/an/an/a7.030



University of Alberta



Assay Description
Enzyme activity was measured by monitoring the appearance of fluorescent product, 6-methoxy-naphthaldehyde (ex@330 nm and em@ 465 nm) on a SpectraMax...


J Mol Biol 381: 897-912 (2008)


Article DOI: 10.1016/j.jmb.2008.06.030
BindingDB Entry DOI: 10.7270/Q2D50K94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydrolase B


(Mycobacterium tuberculosis)
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
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n/an/a 19n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherichia coli BL21 using CMNPC as substrate after 30 mins by fluorescent as...


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
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n/an/a 390n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substrate after 10 mins by fluorescent assay


Bioorg Med Chem 19: 5585-95 (2011)


Article DOI: 10.1016/j.bmc.2011.07.034
BindingDB Entry DOI: 10.7270/Q2V69JZ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
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n/an/a 400n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase using (cyano(6-methoxy-naphthelen-2-yl)methyl trans-[(3-phenyl-oxiran-2-yl)methyl] carbonat...


Bioorg Med Chem Lett 23: 3818-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.083
BindingDB Entry DOI: 10.7270/Q25X2BBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydrolase 1


(Homo sapiens (Human))
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
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Article
n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of microsomal epoxide hydrolase (unknown origin) using 7-(2-(Oxiran-2- yl)ethoxy) Resorufin by fluorometric method


Citation and Details

Article DOI: 10.1007/s00044-011-9953-1
BindingDB Entry DOI: 10.7270/Q2639SK2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM25725
PNG
(1,3-diphenylurea | Urea-based compound, 7)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
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NCI pathway
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n/an/a>6.60E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of SYK expressed in Escherichia coli or baculovirus-infected insect cells by TR-FRET assay


J Med Chem 54: 5131-43 (2011)


Article DOI: 10.1021/jm200349b
BindingDB Entry DOI: 10.7270/Q2F47PHP
More data for this
Ligand-Target Pair