BindingDB logo
myBDB logout

BDBM50166608 CHEMBL3797507

SMILES: CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4c(Cl)c(OC)cc(OC)c4Cl)[nH]n3)ncnc2c1

InChI Key: InChIKey=PTTBIZQLFMRTIQ-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 = 50166608   
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


(Homo sapiens (Human))
BDBM50166608
PNG
(CHEMBL3797507)
Show SMILES CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4c(Cl)c(OC)cc(OC)c4Cl)[nH]n3)ncnc2c1
Show InChI InChI=1S/C27H31Cl2N7O2/c1-4-35-9-11-36(12-10-35)18-6-8-19-21(14-18)30-16-31-27(19)32-24-13-17(33-34-24)5-7-20-25(28)22(37-2)15-23(38-3)26(20)29/h6,8,13-16H,4-5,7,9-12H2,1-3H3,(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

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Chinese Academy of Sciences (CAS)

Curated by ChEMBL


Assay Description
Binding affinity against Nicotinic Acetylcholine Receptor was determined by measuring the displacement of [3H]-cytisine from a preparation of whole r...


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))
BDBM50166608
PNG
(CHEMBL3797507)
Show SMILES CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4c(Cl)c(OC)cc(OC)c4Cl)[nH]n3)ncnc2c1
Show InChI InChI=1S/C27H31Cl2N7O2/c1-4-35-9-11-36(12-10-35)18-6-8-19-21(14-18)30-16-31-27(19)32-24-13-17(33-34-24)5-7-20-25(28)22(37-2)15-23(38-3)26(20)29/h6,8,13-16H,4-5,7,9-12H2,1-3H3,(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

Similars

Article
PubMed
n/an/a 1.40n/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))
BDBM50166608
PNG
(CHEMBL3797507)
Show SMILES CCN1CCN(CC1)c1ccc2c(Nc3cc(CCc4c(Cl)c(OC)cc(OC)c4Cl)[nH]n3)ncnc2c1
Show InChI InChI=1S/C27H31Cl2N7O2/c1-4-35-9-11-36(12-10-35)18-6-8-19-21(14-18)30-16-31-27(19)32-24-13-17(33-34-24)5-7-20-25(28)22(37-2)15-23(38-3)26(20)29/h6,8,13-16H,4-5,7,9-12H2,1-3H3,(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

Similars

Article
PubMed
n/an/a 0.300n/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