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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 1' and Ligand = 'BDBM50296687'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 1


(RAT)
BDBM50296687
PNG
(1-(4-methoxyphenyl)-3-(4-(thietan-3-yloxy)phenyl)p...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(OC2CSC2)cc1
Show InChI InChI=1S/C19H18O3S/c1-21-16-9-5-15(6-10-16)19(20)11-4-14-2-7-17(8-3-14)22-18-12-23-13-18/h2-11,18H,12-13H2,1H3/b11-4+
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>4.00E+4n/an/an/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...


Bioorg Med Chem 17: 5708-15 (2009)


Article DOI: 10.1016/j.bmc.2009.05.072
BindingDB Entry DOI: 10.7270/Q2416X30
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50296687
PNG
(1-(4-methoxyphenyl)-3-(4-(thietan-3-yloxy)phenyl)p...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(OC2CSC2)cc1
Show InChI InChI=1S/C19H18O3S/c1-21-16-9-5-15(6-10-16)19(20)11-4-14-2-7-17(8-3-14)22-18-12-23-13-18/h2-11,18H,12-13H2,1H3/b11-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at mGluR1 in Sprague-Dawley rat cerebellar granule cells assessed as accumulation of [3H]inositol phosphate by liquid ...


Bioorg Med Chem 17: 5708-15 (2009)


Article DOI: 10.1016/j.bmc.2009.05.072
BindingDB Entry DOI: 10.7270/Q2416X30
More data for this
Ligand-Target Pair