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BDBM50132669 CHEMBL3633964

SMILES: CC(=O)N1CCCn2nc(COc3cc(F)cc(F)c3)cc12

InChI Key: InChIKey=ZPPXXCBBQVGQER-UHFFFAOYSA-N

Data: 2 EC50

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 = 50132669   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132669
PNG
(CHEMBL3633964)
Show SMILES CC(=O)N1CCCn2nc(COc3cc(F)cc(F)c3)cc12
Show InChI InChI=1S/C15H15F2N3O2/c1-10(21)19-3-2-4-20-15(19)8-13(18-20)9-22-14-6-11(16)5-12(17)7-14/h5-8H,2-4,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.27E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [125I]hPP from human NPY4 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50132669
PNG
(CHEMBL3633964)
Show SMILES CC(=O)N1CCCn2nc(COc3cc(F)cc(F)c3)cc12
Show InChI InChI=1S/C15H15F2N3O2/c1-10(21)19-3-2-4-20-15(19)8-13(18-20)9-22-14-6-11(16)5-12(17)7-14/h5-8H,2-4,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.26E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of trypsin


Bioorg Med Chem Lett 25: 5115-20 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.009
BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair