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SMILES: CCc1ccc(cc1)-n1cnc2c(sc3nccc(c23)[N+](C)(C)[O-])c1=O

InChI Key: InChIKey=FJYPFLTUEXXIGF-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 3 hits for monomerid = 50177069   
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 1


(Homo sapiens (Human))
BDBM50177069
PNG
(9-(N,N,-dimethyl-N-oxyamino)-3-(4'-ethylphenyl)-3H...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(c23)[N+](C)(C)[O-])c1=O
Show InChI InChI=1S/C19H18N4O2S/c1-4-12-5-7-13(8-6-12)22-11-21-16-15-14(23(2,3)25)9-10-20-18(15)26-17(16)19(22)24/h5-11H,4H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 306n/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
Metabotropic glutamate receptor 1


(RAT)
BDBM50177069
PNG
(9-(N,N,-dimethyl-N-oxyamino)-3-(4'-ethylphenyl)-3H...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(c23)[N+](C)(C)[O-])c1=O
Show InChI InChI=1S/C19H18N4O2S/c1-4-12-5-7-13(8-6-12)22-11-21-16-15-14(23(2,3)25)9-10-20-18(15)26-17(16)19(22)24/h5-11H,4H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 306n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50177069
PNG
(9-(N,N,-dimethyl-N-oxyamino)-3-(4'-ethylphenyl)-3H...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(c23)[N+](C)(C)[O-])c1=O
Show InChI InChI=1S/C19H18N4O2S/c1-4-12-5-7-13(8-6-12)22-11-21-16-15-14(23(2,3)25)9-10-20-18(15)26-17(16)19(22)24/h5-11H,4H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/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