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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 2' and Ligand = 'BDBM50166749'   
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
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50166749
PNG
(CHEMBL3799403)
Show SMILES COc1cc(CCc2cc(Nc3ncnc4cc(ccc34)N3CCN(CC3)C(C)C)n[nH]2)cc(OC)c1
Show InChI InChI=1S/C28H35N7O2/c1-19(2)34-9-11-35(12-10-34)22-7-8-25-26(16-22)29-18-30-28(25)31-27-15-21(32-33-27)6-5-20-13-23(36-3)17-24(14-20)37-4/h7-8,13-19H,5-6,9-12H2,1-4H3,(H2,29,30,31,32,33)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<0.100n/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))
BDBM50166749
PNG
(CHEMBL3799403)
Show SMILES COc1cc(CCc2cc(Nc3ncnc4cc(ccc34)N3CCN(CC3)C(C)C)n[nH]2)cc(OC)c1
Show InChI InChI=1S/C28H35N7O2/c1-19(2)34-9-11-35(12-10-34)22-7-8-25-26(16-22)29-18-30-28(25)31-27-15-21(32-33-27)6-5-20-13-23(36-3)17-24(14-20)37-4/h7-8,13-19H,5-6,9-12H2,1-4H3,(H2,29,30,31,32,33)
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



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