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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 2' and Ligand = 'BDBM50194613'   
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 2


(Homo sapiens (Human))
BDBM50194613
PNG
(CHEMBL3947764)
Show SMILES FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2
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MCE
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Article
PubMed
7.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]JNJ-46281222 from human mGlu2 receptor expressed in CHOK1 cell membranes after 1 hr by microbeta scintillation counting method


J Med Chem 62: 223-233 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00051
BindingDB Entry DOI: 10.7270/Q2CF9TCS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50194613
PNG
(CHEMBL3947764)
Show SMILES FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2
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Article
PubMed
7.60n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]JNJ-46281222 from human mGlu2 receptor expressed in CHOK1 cell membranes preincubated for 3 hrs followed by [3H]JNJ-46281222 addi...


J Med Chem 62: 223-233 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00051
BindingDB Entry DOI: 10.7270/Q2CF9TCS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50194613
PNG
(CHEMBL3947764)
Show SMILES FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2
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n/an/an/an/a 16n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00969
BindingDB Entry DOI: 10.7270/Q2K35ZSQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50194613
PNG
(CHEMBL3947764)
Show SMILES FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2
PDB

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CHEMBL
MCE
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Article
PubMed
n/an/an/an/a 18n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHOK1 cell membranes assessed as increase in glutamate-induced [35S]GTPgammaS bin...


J Med Chem 62: 223-233 (2019)


Article DOI: 10.1021/acs.jmedchem.8b00051
BindingDB Entry DOI: 10.7270/Q2CF9TCS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50194613
PNG
(CHEMBL3947764)
Show SMILES FC(F)(F)c1c(CN2CCC(CC2)c2ccccc2)ccn2c(CC3CC3)nnc12
Show InChI InChI=1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 21n/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu2 receptor expressed in CHO cell membranes assessed as potentiation of glutamate-induced effect incubated...


J Med Chem 59: 8495-507 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00913
BindingDB Entry DOI: 10.7270/Q27M09WC
More data for this
Ligand-Target Pair