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BDBM50166748 CHEMBL3799426

SMILES: COc1cc(CCc2cc(Nc3ncnc4cc(ccc34)N3CCN(CC3)C3CCC3)n[nH]2)cc(OC)c1

InChI Key: InChIKey=WXNBLYTUMAZZAH-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 = 50166748   
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
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50166748
PNG
(CHEMBL3799426)
Show SMILES COc1cc(CCc2cc(Nc3ncnc4cc(ccc34)N3CCN(CC3)C3CCC3)n[nH]2)cc(OC)c1
Show InChI InChI=1S/C29H35N7O2/c1-37-24-14-20(15-25(18-24)38-2)6-7-21-16-28(34-33-21)32-29-26-9-8-23(17-27(26)30-19-31-29)36-12-10-35(11-13-36)22-4-3-5-22/h8-9,14-19,22H,3-7,10-13H2,1-2H3,(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<0.100n/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))
BDBM50166748
PNG
(CHEMBL3799426)
Show SMILES COc1cc(CCc2cc(Nc3ncnc4cc(ccc34)N3CCN(CC3)C3CCC3)n[nH]2)cc(OC)c1
Show InChI InChI=1S/C29H35N7O2/c1-37-24-14-20(15-25(18-24)38-2)6-7-21-16-28(34-33-21)32-29-26-9-8-23(17-27(26)30-19-31-29)36-12-10-35(11-13-36)22-4-3-5-22/h8-9,14-19,22H,3-7,10-13H2,1-2H3,(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 0.600n/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