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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM50177852'   
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))
BDBM50177852
PNG
(3-Chloro-2-ethoxy-5-{[6-methoxy-7-(2-methoxyethoxy...)
Show SMILES CCOC1=C(Cl)C(=O)C(Nc2ncnc3cc(OCCOC)c(OC)cc23)=CC1=O |c:3,28|
Show InChI InChI=1S/C20H20ClN3O6/c1-4-29-19-14(25)8-13(18(26)17(19)21)24-20-11-7-15(28-3)16(30-6-5-27-2)9-12(11)22-10-23-20/h7-10H,4-6H2,1-3H3,(H,22,23,24)
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Article
PubMed
n/an/a<1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50177852
PNG
(3-Chloro-2-ethoxy-5-{[6-methoxy-7-(2-methoxyethoxy...)
Show SMILES CCOC1=C(Cl)C(=O)C(Nc2ncnc3cc(OCCOC)c(OC)cc23)=CC1=O |c:3,28|
Show InChI InChI=1S/C20H20ClN3O6/c1-4-29-19-14(25)8-13(18(26)17(19)21)24-20-11-7-15(28-3)16(30-6-5-27-2)9-12(11)22-10-23-20/h7-10H,4-6H2,1-3H3,(H,22,23,24)
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PC sid
UniChem

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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50177852
PNG
(3-Chloro-2-ethoxy-5-{[6-methoxy-7-(2-methoxyethoxy...)
Show SMILES CCOC1=C(Cl)C(=O)C(Nc2ncnc3cc(OCCOC)c(OC)cc23)=CC1=O |c:3,28|
Show InChI InChI=1S/C20H20ClN3O6/c1-4-29-19-14(25)8-13(18(26)17(19)21)24-20-11-7-15(28-3)16(30-6-5-27-2)9-12(11)22-10-23-20/h7-10H,4-6H2,1-3H3,(H,22,23,24)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGF stimulated autophosphorylation of VEGFR2 expressed in KDR15 cells


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair