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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM5875'   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5875
PNG
(2-Anilino-5-aryloxazole 39 | N-[5-(Ethylsulfonyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccn2)c1
Show InChI InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26)
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n/an/a 17n/an/an/an/an/an/a



Comenius University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human VEGFR2 expressed in Sf9 cells by radiometric assay


Eur J Med Chem 72: 146-59 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.023
BindingDB Entry DOI: 10.7270/Q2K93919
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5875
PNG
(2-Anilino-5-aryloxazole 39 | N-[5-(Ethylsulfonyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccn2)c1
Show InChI InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26)
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n/an/a 22n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
BindingDB Entry DOI: 10.7270/Q2S75JJV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5875
PNG
(2-Anilino-5-aryloxazole 39 | N-[5-(Ethylsulfonyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccn2)c1
Show InChI InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26)
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n/an/a 22n/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay


Eur J Med Chem 103: 105-22 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.012
BindingDB Entry DOI: 10.7270/Q2P84DQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM5875
PNG
(2-Anilino-5-aryloxazole 39 | N-[5-(Ethylsulfonyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccn2)c1
Show InChI InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26)
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PubMed
n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...


J Med Chem 48: 1610-9 (2005)


Article DOI: 10.1021/jm049538w
BindingDB Entry DOI: 10.7270/Q2FT8J85
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)