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SMILES: CN(C)c1ccnc2sc3c(nnn(C4CCCCCC4)c3=O)c12

InChI Key: InChIKey=FHPVPCRSNMYQFP-UHFFFAOYSA-N

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 = 50177096   
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))
BDBM50177096
PNG
(3-cycloheptyl -9-dimethylamino-3H-5-thia-1,2,3,6-t...)
Show SMILES CN(C)c1ccnc2sc3c(nnn(C4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C17H21N5OS/c1-21(2)12-9-10-18-16-13(12)14-15(24-16)17(23)22(20-19-14)11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 816n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50177096
PNG
(3-cycloheptyl -9-dimethylamino-3H-5-thia-1,2,3,6-t...)
Show SMILES CN(C)c1ccnc2sc3c(nnn(C4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C17H21N5OS/c1-21(2)12-9-10-18-16-13(12)14-15(24-16)17(23)22(20-19-14)11-7-5-3-4-6-8-11/h9-11H,3-8H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair