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BDBM109136 US8609852, 43

SMILES: Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(Cl)c1

InChI Key: InChIKey=QAQJEPJAPQJTCI-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 109136   
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))
BDBM109136
PNG
(US8609852, 43)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H11ClN2S/c1-12-20-17(11-21-12)6-5-13-7-15(10-19-9-13)14-3-2-4-16(18)8-14/h2-4,7-11H,1H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.650n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxymethyl-3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine from mGlu5R in rat brain membranes


Bioorg Med Chem Lett 26: 484-94 (2016)


BindingDB Entry DOI: 10.7270/Q21C1ZQ3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM109136
PNG
(US8609852, 43)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H11ClN2S/c1-12-20-17(11-21-12)6-5-13-7-15(10-19-9-13)14-3-2-4-16(18)8-14/h2-4,7-11H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.650 -12.5n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Wo...


US Patent US8609852 (2013)


BindingDB Entry DOI: 10.7270/Q27M06K3
More data for this
Ligand-Target Pair