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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 1' and Ligand = 'BDBM50127985'   
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


(Homo sapiens (Human))
BDBM50127985
PNG
(CHEMBL3628113)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(13(21)9-11)24-19(26)12-3-2-4-14(22)16(12)20(24)27/h2-9H,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/an/an/a 32n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliztion by Fluo-4AM ...


J Med Chem 58: 7959-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00727
BindingDB Entry DOI: 10.7270/Q2MK6FQ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50127985
PNG
(CHEMBL3628113)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(13(21)9-11)24-19(26)12-3-2-4-14(22)16(12)20(24)27/h2-9H,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 41n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGlu1 receptor assessed as potentiation of glutamate-induced calcium mobiliztion by cell based assay


J Med Chem 58: 7959-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00727
BindingDB Entry DOI: 10.7270/Q2MK6FQ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50127985
PNG
(CHEMBL3628113)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(13(21)9-11)24-19(26)12-3-2-4-14(22)16(12)20(24)27/h2-9H,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 32n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at human mGlu1 receptor expressed in wild type T-Rex293 cells assessed as increase in glutamate-induced calci...


Bioorg Med Chem Lett 26: 1869-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.031
BindingDB Entry DOI: 10.7270/Q2Z03B11
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50127985
PNG
(CHEMBL3628113)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(13(21)9-11)24-19(26)12-3-2-4-14(22)16(12)20(24)27/h2-9H,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 32n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu1 receptor in HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliztion by Fluo-4AM ...


J Med Chem 58: 7959-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00727
BindingDB Entry DOI: 10.7270/Q2MK6FQ4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50127985
PNG
(CHEMBL3628113)
Show SMILES Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1
Show InChI InChI=1S/C20H12ClFN2O4/c1-10-7-8-28-17(10)18(25)23-11-5-6-15(13(21)9-11)24-19(26)12-3-2-4-14(22)16(12)20(24)27/h2-9H,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 41n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat mGlu1 receptor assessed as potentiation of glutamate-induced calcium mobiliztion by cell based assay


J Med Chem 58: 7959-71 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00727
BindingDB Entry DOI: 10.7270/Q2MK6FQ4
More data for this
Ligand-Target Pair