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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 = 'BDBM50375681'   
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))
BDBM50375681
PNG
(CHEMBL411630)
Show SMILES COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(C)cc3)c2cc1OC
Show InChI InChI=1S/C27H25N3O5/c1-17-4-6-18(7-5-17)29-27(31)30-12-13-34-24-14-19(8-9-22(24)30)35-23-10-11-28-21-16-26(33-3)25(32-2)15-20(21)23/h4-11,14-16H,12-13H2,1-3H3,(H,29,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.200n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50375681
PNG
(CHEMBL411630)
Show SMILES COc1cc2nccc(Oc3ccc4N(CCOc4c3)C(=O)Nc3ccc(C)cc3)c2cc1OC
Show InChI InChI=1S/C27H25N3O5/c1-17-4-6-18(7-5-17)29-27(31)30-12-13-34-24-14-19(8-9-22(24)30)35-23-10-11-28-21-16-26(33-3)25(32-2)15-20(21)23/h4-11,14-16H,12-13H2,1-3H3,(H,29,31)
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 0.200n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 51: 1695-705 (2008)


Article DOI: 10.1021/jm701129j
BindingDB Entry DOI: 10.7270/Q28K79ZW
More data for this
Ligand-Target Pair