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BDBM50293648 6-(phenylethynyl)-N-(thiophen-3-ylmethyl)nicotinamide::CHEMBL540426

SMILES: O=C(NCc1ccsc1)c1ccc(nc1)C#Cc1ccccc1

InChI Key: InChIKey=BFGPEZRNJVDHQO-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50293648   
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))
BDBM50293648
PNG
(6-(phenylethynyl)-N-(thiophen-3-ylmethyl)nicotinam...)
Show SMILES O=C(NCc1ccsc1)c1ccc(nc1)C#Cc1ccccc1
Show InChI InChI=1S/C19H14N2OS/c22-19(21-12-16-10-11-23-14-16)17-7-9-18(20-13-17)8-6-15-4-2-1-3-5-15/h1-5,7,9-11,13-14H,12H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 140n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human mGluR5 transiently transfected in BHK cells assessed as potentiation of L-glutamate-induced calcium flux by FLIPR assay


Bioorg Med Chem Lett 19: 3275-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.095
BindingDB Entry DOI: 10.7270/Q2J1035D
More data for this
Ligand-Target Pair