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BDBM50105840 CHEMBL3597591

SMILES: [O-][N+](=O)c1cccnc1N1CCN(CC#Cc2ccccc2)CC1

InChI Key: InChIKey=LJYNSIUTUVNOQT-UHFFFAOYSA-N

Data: 3 KI

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 = 50105840   
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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50105840
PNG
(CHEMBL3597591)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC#Cc2ccccc2)CC1
Show InChI InChI=1S/C18H18N4O2/c23-22(24)17-9-4-10-19-18(17)21-14-12-20(13-15-21)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10H,11-15H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
61n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50105840
PNG
(CHEMBL3597591)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC#Cc2ccccc2)CC1
Show InChI InChI=1S/C18H18N4O2/c23-22(24)17-9-4-10-19-18(17)21-14-12-20(13-15-21)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10H,11-15H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
117n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50105840
PNG
(CHEMBL3597591)
Show SMILES [O-][N+](=O)c1cccnc1N1CCN(CC#Cc2ccccc2)CC1
Show InChI InChI=1S/C18H18N4O2/c23-22(24)17-9-4-10-19-18(17)21-14-12-20(13-15-21)11-5-8-16-6-2-1-3-7-16/h1-4,6-7,9-10H,11-15H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from rat cloned mGluR1 receptor expressed in CHO-T-Rex cells after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair