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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 = 'BDBM50277363'   
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))
BDBM50277363
PNG
(CHEMBL475510 | N-(3-tert-butylphenyl)-4-(pyridin-4...)
Show SMILES CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C20H22N4OS/c1-20(2,3)15-5-4-6-16(11-15)23-19(25)18-17(13-26-24-18)22-12-14-7-9-21-10-8-14/h4-11,13,22H,12H2,1-3H3,(H,23,25)
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PubMed
120n/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))
BDBM50277363
PNG
(CHEMBL475510 | N-(3-tert-butylphenyl)-4-(pyridin-4...)
Show SMILES CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C20H22N4OS/c1-20(2,3)15-5-4-6-16(11-15)23-19(25)18-17(13-26-24-18)22-12-14-7-9-21-10-8-14/h4-11,13,22H,12H2,1-3H3,(H,23,25)
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130n/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))
BDBM50277363
PNG
(CHEMBL475510 | N-(3-tert-butylphenyl)-4-(pyridin-4...)
Show SMILES CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C20H22N4OS/c1-20(2,3)15-5-4-6-16(11-15)23-19(25)18-17(13-26-24-18)22-12-14-7-9-21-10-8-14/h4-11,13,22H,12H2,1-3H3,(H,23,25)
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PubMed
n/an/a 35n/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))
BDBM50277363
PNG
(CHEMBL475510 | N-(3-tert-butylphenyl)-4-(pyridin-4...)
Show SMILES CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C20H22N4OS/c1-20(2,3)15-5-4-6-16(11-15)23-19(25)18-17(13-26-24-18)22-12-14-7-9-21-10-8-14/h4-11,13,22H,12H2,1-3H3,(H,23,25)
PDB
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KEGG

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Article
PubMed
n/an/a 82n/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