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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 = 'BDBM50162157'   
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))
BDBM50162157
PNG
(1-[4-(6,7-Dimethoxy-quinazolin-4-yloxy)-phenyl]-3-...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cc1
Show InChI InChI=1S/C24H22N4O5/c1-30-17-8-4-15(5-9-17)27-24(29)28-16-6-10-18(11-7-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)
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n/an/a 2.20n/an/an/an/an/an/a



Kirin Brewery Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of vascular endothelial growth factor receptor 2


J Med Chem 48: 1359-66 (2005)


Article DOI: 10.1021/jm030427r
BindingDB Entry DOI: 10.7270/Q23J3CG1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50162157
PNG
(1-[4-(6,7-Dimethoxy-quinazolin-4-yloxy)-phenyl]-3-...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cc1
Show InChI InChI=1S/C24H22N4O5/c1-30-17-8-4-15(5-9-17)27-24(29)28-16-6-10-18(11-7-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)
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n/an/a 70n/an/an/an/an/an/a



Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 21: 2106-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.137
BindingDB Entry DOI: 10.7270/Q2C24WRV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50162157
PNG
(1-[4-(6,7-Dimethoxy-quinazolin-4-yloxy)-phenyl]-3-...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cc1
Show InChI InChI=1S/C24H22N4O5/c1-30-17-8-4-15(5-9-17)27-24(29)28-16-6-10-18(11-7-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)
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n/an/a 70n/an/an/an/an/an/a



Univ. Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR-2 using poly(Glu4/Tyr) and [gamma32P]ATP as substrate after 1 hr by scintillation counting


J Med Chem 55: 1189-204 (2012)


Article DOI: 10.1021/jm2013453
BindingDB Entry DOI: 10.7270/Q2086695
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50162157
PNG
(1-[4-(6,7-Dimethoxy-quinazolin-4-yloxy)-phenyl]-3-...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2)cc1
Show InChI InChI=1S/C24H22N4O5/c1-30-17-8-4-15(5-9-17)27-24(29)28-16-6-10-18(11-7-16)33-23-19-12-21(31-2)22(32-3)13-20(19)25-14-26-23/h4-14H,1-3H3,(H2,27,28,29)
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Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VEGFR-2-mediated poly(Glu4Tyr) phosphorylation after 1 hr


Bioorg Med Chem Lett 21: 2106-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.137
BindingDB Entry DOI: 10.7270/Q2C24WRV
More data for this
Ligand-Target Pair