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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 = 'BDBM50177817'   
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))
BDBM50177817
PNG
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)
Show SMILES COc1cc2c(N=C3CC(=O)C(OCc4c(F)c(F)c(F)c(F)c4F)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:25|
Show InChI InChI=1S/C29H25F5N4O5/c1-41-22-9-15-17(11-23(22)42-8-4-7-38-5-2-3-6-38)35-14-36-29(15)37-18-10-20(40)21(12-19(18)39)43-13-16-24(30)26(32)28(34)27(33)25(16)31/h9,11-12,14H,2-8,10,13H2,1H3
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Article
PubMed
n/an/a 4.5n/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))
BDBM50177817
PNG
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)
Show SMILES COc1cc2c(N=C3CC(=O)C(OCc4c(F)c(F)c(F)c(F)c4F)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:25|
Show InChI InChI=1S/C29H25F5N4O5/c1-41-22-9-15-17(11-23(22)42-8-4-7-38-5-2-3-6-38)35-14-36-29(15)37-18-10-20(40)21(12-19(18)39)43-13-16-24(30)26(32)28(34)27(33)25(16)31/h9,11-12,14H,2-8,10,13H2,1H3
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30n/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))
BDBM50177817
PNG
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)
Show SMILES COc1cc2c(N=C3CC(=O)C(OCc4c(F)c(F)c(F)c(F)c4F)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:25|
Show InChI InChI=1S/C29H25F5N4O5/c1-41-22-9-15-17(11-23(22)42-8-4-7-38-5-2-3-6-38)35-14-36-29(15)37-18-10-20(40)21(12-19(18)39)43-13-16-24(30)26(32)28(34)27(33)25(16)31/h9,11-12,14H,2-8,10,13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.90n/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 5% mouse plasma


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