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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 = 'BDBM4649'   
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))
BDBM4649
PNG
(4-Anilinoquinazoline 14 | Anilinoquinazoline deriv...)
Show SMILES COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC1CCN(C)CC1
Show InChI InChI=1S/C21H22ClFN4O2/c1-27-7-5-14(6-8-27)29-20-11-18-15(10-19(20)28-2)21(25-12-24-18)26-17-4-3-13(22)9-16(17)23/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 1.50E+3n/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 45: 1300-12 (2002)


Article DOI: 10.1021/jm011022e
BindingDB Entry DOI: 10.7270/Q29C6VMW
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4649
PNG
(4-Anilinoquinazoline 14 | Anilinoquinazoline deriv...)
Show SMILES COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OC1CCN(C)CC1
Show InChI InChI=1S/C21H22ClFN4O2/c1-27-7-5-14(6-8-27)29-20-11-18-15(10-19(20)28-2)21(25-12-24-18)26-17-4-3-13(22)9-16(17)23/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

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