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BDBM50376024 CHEMBL259461

SMILES: COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(C)on3)c2cc1OC

InChI Key: InChIKey=ZDWOBQHLTMTKEA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50376024   
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))
BDBM50376024
PNG
(CHEMBL259461)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(C)on3)c2cc1OC
Show InChI InChI=1S/C26H21N3O5/c1-15-11-25(29-34-15)28-26(30)19-6-4-5-16-12-17(7-8-18(16)19)33-22-9-10-27-21-14-24(32-3)23(31-2)13-20(21)22/h4-14H,1-3H3,(H,28,29,30)
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 0.603n/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))
BDBM50376024
PNG
(CHEMBL259461)
Show SMILES COc1cc2nccc(Oc3ccc4c(cccc4c3)C(=O)Nc3cc(C)on3)c2cc1OC
Show InChI InChI=1S/C26H21N3O5/c1-15-11-25(29-34-15)28-26(30)19-6-4-5-16-12-17(7-8-18(16)19)33-22-9-10-27-21-14-24(32-3)23(31-2)13-20(21)22/h4-14H,1-3H3,(H,28,29,30)
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 0.600n/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