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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 = 'BDBM50163600'   
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)
BDBM50163600
PNG
((3-Ethyl-2-methyl-quinolin-6-yl)-(4-hydroxy-cycloh...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C1CCC(O)CC1 |(7.34,.62,;5.99,1.39,;4.66,.62,;3.33,1.37,;2,.6,;.66,1.37,;-.67,.6,;-.67,-.94,;.66,-1.71,;2,-.94,;3.34,-1.71,;4.68,-.94,;6.02,-1.69,;-2,1.37,;-2,2.91,;-3.34,.6,;-4.68,1.37,;-6.01,.6,;-6.02,-.94,;-7.36,-1.69,;-4.68,-1.71,;-3.34,-.94,)|
Show InChI InChI=1S/C19H23NO2/c1-3-13-10-16-11-15(6-9-18(16)20-12(13)2)19(22)14-4-7-17(21)8-5-14/h6,9-11,14,17,21H,3-5,7-8H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163600
PNG
((3-Ethyl-2-methyl-quinolin-6-yl)-(4-hydroxy-cycloh...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C1CCC(O)CC1 |(7.34,.62,;5.99,1.39,;4.66,.62,;3.33,1.37,;2,.6,;.66,1.37,;-.67,.6,;-.67,-.94,;.66,-1.71,;2,-.94,;3.34,-1.71,;4.68,-.94,;6.02,-1.69,;-2,1.37,;-2,2.91,;-3.34,.6,;-4.68,1.37,;-6.01,.6,;-6.02,-.94,;-7.36,-1.69,;-4.68,-1.71,;-3.34,-.94,)|
Show InChI InChI=1S/C19H23NO2/c1-3-13-10-16-11-15(6-9-18(16)20-12(13)2)19(22)14-4-7-17(21)8-5-14/h6,9-11,14,17,21H,3-5,7-8H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair