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BDBM50376034 CHEMBL271563

SMILES: COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccc(c3)C(F)(F)F)c2cc1OC

InChI Key: InChIKey=BHNVCIXSNFNBSW-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50376034   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50376034
PNG
(CHEMBL271563)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccc(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-12-11-25(23)38-20-9-10-21-17(13-20)5-3-8-22(21)28(35)34-19-7-4-6-18(14-19)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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50376034
PNG
(CHEMBL271563)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cccc(c3)C(F)(F)F)c2cc1OC
Show InChI InChI=1S/C29H21F3N2O4/c1-36-26-15-23-24(16-27(26)37-2)33-12-11-25(23)38-20-9-10-21-17(13-20)5-3-8-22(21)28(35)34-19-7-4-6-18(14-19)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 0.5n/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