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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM4621'   
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))
BDBM4621
PNG
(Anilinoquinazoline deriv. 4 | CHEMBL150315 | N-(4-...)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)
PDB
MMDB

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Article
PubMed
n/an/a 100n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4621
PNG
(Anilinoquinazoline deriv. 4 | CHEMBL150315 | N-(4-...)
Show SMILES COc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-12-4-3-9(17)5-11(12)18/h3-8H,1-2H3,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2 kinase


Bioorg Med Chem Lett 16: 129-33 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.036
BindingDB Entry DOI: 10.7270/Q2DR2V2X
More data for this
Ligand-Target Pair