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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50416931'   
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 5


(Rattus norvegicus (Rat))
BDBM50416931
PNG
(CHEMBL1258859)
Show SMILES CCSc1nnc-2c(O[C@H](N(C(C)=O)c3ccccc-23)c2ccc(OC)cc2OC)n1 |r|
Show InChI InChI=1S/C22H22N4O4S/c1-5-31-22-23-20-19(24-25-22)15-8-6-7-9-17(15)26(13(2)27)21(30-20)16-11-10-14(28-3)12-18(16)29-4/h6-12,21H,5H2,1-4H3/t21-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/an/an/a 490n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1 expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5922-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.061
BindingDB Entry DOI: 10.7270/Q2XS5WN3
More data for this
Ligand-Target Pair