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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 tyrosine-protein kinase TIE-2 (KDR and TIE2)' and Ligand = 'BDBM50002585'   
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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50002585
PNG
(CHEMBL2113191)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Cl)=C(OCC4CC4)C3=O)c2cc1OC |t:13,18|
Show InChI InChI=1S/C22H22ClN3O6/c1-29-5-6-31-18-9-14-13(7-17(18)30-2)22(25-11-24-14)26-15-8-16(27)19(23)21(20(15)28)32-10-12-3-4-12/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25,26)
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n/an/a 2.30n/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


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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50002585
PNG
(CHEMBL2113191)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Cl)=C(OCC4CC4)C3=O)c2cc1OC |t:13,18|
Show InChI InChI=1S/C22H22ClN3O6/c1-29-5-6-31-18-9-14-13(7-17(18)30-2)22(25-11-24-14)26-15-8-16(27)19(23)21(20(15)28)32-10-12-3-4-12/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 194n/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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50002585
PNG
(CHEMBL2113191)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Cl)=C(OCC4CC4)C3=O)c2cc1OC |t:13,18|
Show InChI InChI=1S/C22H22ClN3O6/c1-29-5-6-31-18-9-14-13(7-17(18)30-2)22(25-11-24-14)26-15-8-16(27)19(23)21(20(15)28)32-10-12-3-4-12/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25,26)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/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