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BDBM50336831 3-((2-Chlorothiazol)-4-yl)ethynyl)-5-fluorobenzonitrile::CHEMBL1672276

SMILES: Fc1cc(cc(c1)C#Cc1csc(Cl)n1)C#N

InChI Key: InChIKey=PPAQOEIJUZVTEC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336831   
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


(Rattus norvegicus (Rat))
BDBM50336831
PNG
(3-((2-Chlorothiazol)-4-yl)ethynyl)-5-fluorobenzoni...)
Show SMILES Fc1cc(cc(c1)C#Cc1csc(Cl)n1)C#N
Show InChI InChI=1S/C12H4ClFN2S/c13-12-16-11(7-17-12)2-1-8-3-9(6-15)5-10(14)4-8/h3-5,7H
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
0.400n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain


J Med Chem 54: 901-8 (2012)


Article DOI: 10.1021/jm101430m
BindingDB Entry DOI: 10.7270/Q26Q1Z7T
More data for this
Ligand-Target Pair