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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 = 'BDBM50364693'   
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)
BDBM50364693
PNG
(CHEMBL1951684)
Show SMILES COc1ccc(cc1)-n1ccc2c(sc3nccc(NCCO)c23)c1=O
Show InChI InChI=1S/C19H17N3O3S/c1-25-13-4-2-12(3-5-13)22-10-7-14-16-15(20-9-11-23)6-8-21-18(16)26-17(14)19(22)24/h2-8,10,23H,9,11H2,1H3,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
136n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50364693
PNG
(CHEMBL1951684)
Show SMILES COc1ccc(cc1)-n1ccc2c(sc3nccc(NCCO)c23)c1=O
Show InChI InChI=1S/C19H17N3O3S/c1-25-13-4-2-12(3-5-13)22-10-7-14-16-15(20-9-11-23)6-8-21-18(16)26-17(14)19(22)24/h2-8,10,23H,9,11H2,1H3,(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 124n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair