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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 = 'BDBM50277281'   
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))
BDBM50277281
PNG
(4-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C17H13F3N4OS/c18-17(19,20)12-2-1-3-13(8-12)23-16(25)15-14(10-26-24-15)22-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25)
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PubMed
130n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC90 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277281
PNG
(4-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C17H13F3N4OS/c18-17(19,20)12-2-1-3-13(8-12)23-16(25)15-14(10-26-24-15)22-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25)
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160n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC50 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277281
PNG
(4-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C17H13F3N4OS/c18-17(19,20)12-2-1-3-13(8-12)23-16(25)15-14(10-26-24-15)22-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25)
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n/an/a 41n/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) assessed as blockade of pGAT-biotin phosphorylation in presence of 2 uM ATP by HTRF assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277281
PNG
(4-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C17H13F3N4OS/c18-17(19,20)12-2-1-3-13(8-12)23-16(25)15-14(10-26-24-15)22-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25)
PDB
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KEGG

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Article
PubMed
n/an/a 54n/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) expressed in HEK293 cells assessed as inhibition of receptor phosphorylation by ELISA


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair