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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50132669'   
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
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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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)


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

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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)


BindingDB Entry DOI: 10.7270/Q2445P80
More data for this
Ligand-Target Pair