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BDBM50437109 CHEMBL2403682

SMILES: O=C(C1CC1)N1CCc2nc(sc2C1)C#Cc1ccccc1

InChI Key: InChIKey=JMCWYXPRTOXLSG-UHFFFAOYSA-N

Data: 1 IC50  1 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 = 50437109   
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))
BDBM50437109
PNG
(CHEMBL2403682)
Show SMILES O=C(C1CC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C18H16N2OS/c21-18(14-7-8-14)20-11-10-15-16(12-20)22-17(19-15)9-6-13-4-2-1-3-5-13/h1-5,14H,7-8,10-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of L-glutamate-induced activity after 1 hr by...


Bioorg Med Chem Lett 23: 4037-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.070
BindingDB Entry DOI: 10.7270/Q24M95XN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50437109
PNG
(CHEMBL2403682)
Show SMILES O=C(C1CC1)N1CCc2nc(sc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C18H16N2OS/c21-18(14-7-8-14)20-11-10-15-16(12-20)22-17(19-15)9-6-13-4-2-1-3-5-13/h1-5,14H,7-8,10-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as potentiation of L-glutamate-induced activity after 1 hr ...


Bioorg Med Chem Lett 23: 4037-43 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.070
BindingDB Entry DOI: 10.7270/Q24M95XN
More data for this
Ligand-Target Pair