new BindingDB logo
myBDB logout

BDBM50166609 CHEMBL3797416

SMILES: CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)nc(CC)nc2c1

InChI Key: InChIKey=JZADASHLALTDDI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50166609   
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))
BDBM50166609
PNG
(CHEMBL3797416)
Show SMILES CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)nc(CC)nc2c1
Show InChI InChI=1S/C29H37N7O2/c1-5-27-30-26-18-22(36-13-11-35(6-2)12-14-36)9-10-25(26)29(31-27)32-28-17-21(33-34-28)8-7-20-15-23(37-3)19-24(16-20)38-4/h9-10,15-19H,5-8,11-14H2,1-4H3,(H2,30,31,32,33,34)
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 36n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 (unknown origin) using (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Bioorg Med Chem Lett 26: 2594-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.028
BindingDB Entry DOI: 10.7270/Q20C4XNM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50166609
PNG
(CHEMBL3797416)
Show SMILES CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)nc(CC)nc2c1
Show InChI InChI=1S/C29H37N7O2/c1-5-27-30-26-18-22(36-13-11-35(6-2)12-14-36)9-10-25(26)29(31-27)32-28-17-21(33-34-28)8-7-20-15-23(37-3)19-24(16-20)38-4/h9-10,15-19H,5-8,11-14H2,1-4H3,(H2,30,31,32,33,34)
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 25n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR2 in human SNU16 cells assessed as suppression of cell proliferation after 72 hrs by SRB/CCK-8 assay


Bioorg Med Chem Lett 26: 2594-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.028
BindingDB Entry DOI: 10.7270/Q20C4XNM
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50166609
PNG
(CHEMBL3797416)
Show SMILES CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4cc(OC)cc(OC)c4)[nH]n3)nc(CC)nc2c1
Show InChI InChI=1S/C29H37N7O2/c1-5-27-30-26-18-22(36-13-11-35(6-2)12-14-36)9-10-25(26)29(31-27)32-28-17-21(33-34-28)8-7-20-15-23(37-3)19-24(16-20)38-4/h9-10,15-19H,5-8,11-14H2,1-4H3,(H2,30,31,32,33,34)
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



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant FGFR2 (unknown origin) using (Glu,Tyr)4:1 as substrate incubated for 60 mins by ELISA


Bioorg Med Chem Lett 26: 2594-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.028
BindingDB Entry DOI: 10.7270/Q20C4XNM
More data for this
Ligand-Target Pair