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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM50372171'   
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))
BDBM50372171
PNG
(CHEMBL256824)
Show SMILES Cn1nc(N)c2c(cncc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F4N6O/c1-31-17-10-27-9-14(18(17)19(26)30-31)11-2-4-12(5-3-11)28-20(32)29-13-6-7-16(22)15(8-13)21(23,24)25/h2-10H,1H3,(H2,26,30)(H2,28,29,32)
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Article
n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR kinase activity (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372171
PNG
(CHEMBL256824)
Show SMILES Cn1nc(N)c2c(cncc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F4N6O/c1-31-17-10-27-9-14(18(17)19(26)30-31)11-2-4-12(5-3-11)28-20(32)29-13-6-7-16(22)15(8-13)21(23,24)25/h2-10H,1H3,(H2,26,30)(H2,28,29,32)
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Article
n/an/a 3.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR kinase activity (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372171
PNG
(CHEMBL256824)
Show SMILES Cn1nc(N)c2c(cncc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F4N6O/c1-31-17-10-27-9-14(18(17)19(26)30-31)11-2-4-12(5-3-11)28-20(32)29-13-6-7-16(22)15(8-13)21(23,24)25/h2-10H,1H3,(H2,26,30)(H2,28,29,32)
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PubMed
n/an/a 3.70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372171
PNG
(CHEMBL256824)
Show SMILES Cn1nc(N)c2c(cncc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F4N6O/c1-31-17-10-27-9-14(18(17)19(26)30-31)11-2-4-12(5-3-11)28-20(32)29-13-6-7-16(22)15(8-13)21(23,24)25/h2-10H,1H3,(H2,26,30)(H2,28,29,32)
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Article
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR (unknown origin) in cell-based assay


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372171
PNG
(CHEMBL256824)
Show SMILES Cn1nc(N)c2c(cncc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F4N6O/c1-31-17-10-27-9-14(18(17)19(26)30-31)11-2-4-12(5-3-11)28-20(32)29-13-6-7-16(22)15(8-13)21(23,24)25/h2-10H,1H3,(H2,26,30)(H2,28,29,32)
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Article
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n/an/a 13n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372171
PNG
(CHEMBL256824)
Show SMILES Cn1nc(N)c2c(cncc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F4N6O/c1-31-17-10-27-9-14(18(17)19(26)30-31)11-2-4-12(5-3-11)28-20(32)29-13-6-7-16(22)15(8-13)21(23,24)25/h2-10H,1H3,(H2,26,30)(H2,28,29,32)
PDB
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Article
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR (unknown origin) in cell-based assay


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair