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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 = 'BDBM50209884'   
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))
BDBM50209884
PNG
((2E)-4-(dimethylamino)-N-(4-{[3,6-dioxo-4-(2-thien...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccs4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:23,t:11|
Show InChI InChI=1S/C27H27N5O5S/c1-4-36-24-13-19-18(11-21(24)30-26(35)8-5-9-32(2)3)27(29-16-28-19)31-20-12-23(34)25(14-22(20)33)37-15-17-7-6-10-38-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,30,35)(H,28,29,31)/b8-5+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 76.2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 in presence of 1 uM ATP


Bioorg Med Chem 15: 3635-48 (2007)


Article DOI: 10.1016/j.bmc.2007.03.055
BindingDB Entry DOI: 10.7270/Q2GF0VB8
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50209884
PNG
((2E)-4-(dimethylamino)-N-(4-{[3,6-dioxo-4-(2-thien...)
Show SMILES CCOc1cc2ncnc(NC3=CC(=O)C(OCc4cccs4)=CC3=O)c2cc1NC(=O)\C=C\CN(C)C |c:23,t:11|
Show InChI InChI=1S/C27H27N5O5S/c1-4-36-24-13-19-18(11-21(24)30-26(35)8-5-9-32(2)3)27(29-16-28-19)31-20-12-23(34)25(14-22(20)33)37-15-17-7-6-10-38-17/h5-8,10-14,16H,4,9,15H2,1-3H3,(H,30,35)(H,28,29,31)/b8-5+
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 298n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 in presence of 1 mM ATP


Bioorg Med Chem 15: 3635-48 (2007)


Article DOI: 10.1016/j.bmc.2007.03.055
BindingDB Entry DOI: 10.7270/Q2GF0VB8
More data for this
Ligand-Target Pair