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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' and Ligand = 'BDBM50331033'   
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


(Homo sapiens (human))
BDBM50331033
PNG
((Z)-5-(2-Diethylamino-ethyl)-2-(5-fluoro-2-oxo-1,2...)
Show SMILES CCN(CC)CCN1CCCCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O
Show InChI InChI=1S/C25H31FN4O2/c1-4-29(5-2)12-13-30-11-7-6-8-21-23(25(30)32)16(3)22(27-21)15-19-18-14-17(26)9-10-20(18)28-24(19)31/h9-10,14-15,27H,4-8,11-13H2,1-3H3,(H,28,31)/b19-15-
PDB
MMDB

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Similars

Article
PubMed
n/an/a 112n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 after 30 mins by ELISA


J Med Chem 53: 8140-9 (2010)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50331033
PNG
((Z)-5-(2-Diethylamino-ethyl)-2-(5-fluoro-2-oxo-1,2...)
Show SMILES CCN(CC)CCN1CCCCc2[nH]c(\C=C3/C(=O)Nc4ccc(F)cc34)c(C)c2C1=O
Show InChI InChI=1S/C25H31FN4O2/c1-4-29(5-2)12-13-30-11-7-6-8-21-23(25(30)32)16(3)22(27-21)15-19-18-14-17(26)9-10-20(18)28-24(19)31/h9-10,14-15,27H,4-8,11-13H2,1-3H3,(H,28,31)/b19-15-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 215n/an/an/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2-induced cell proliferation in HUVEC after 72 hrs by sulforhodamine B method


J Med Chem 53: 8140-9 (2010)

More data for this
Ligand-Target Pair