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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 tyrosine-protein kinase TIE-2 (KDR and TIE2)' and Ligand = 'BDBM50376033'   
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))
BDBM50376033
PNG
(CHEMBL270985)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(cc3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-13-12-25(23)38-20-10-11-21-17(14-20)4-3-5-22(21)28(35)34-19-8-6-18(7-9-19)29(30,31)32/h3-16H,1-2H3,(H,34,35)
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MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1649-67 (2008)


Article DOI: 10.1021/jm701097z
BindingDB Entry DOI: 10.7270/Q29C6Z8N
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))
BDBM50376033
PNG
(CHEMBL270985)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3ccc(cc3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-13-12-25(23)38-20-10-11-21-17(14-20)4-3-5-22(21)28(35)34-19-8-6-18(7-9-19)29(30,31)32/h3-16H,1-2H3,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.501n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 after 60 mins


J Mol Graph Model 27: 642-54 (2008)


Article DOI: 10.1016/j.jmgm.2008.10.006
BindingDB Entry DOI: 10.7270/Q2C24XNX
More data for this
Ligand-Target Pair