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SMILES: C[C@@H]1CN(C(=O)c2cc(COc3ccccc3)nn12)c1ccc(F)cc1

InChI Key: InChIKey=QBUOECJLFIDNSJ-CQSZACIVSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50122118   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50122118
PNG
(CHEMBL3617495)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccccc3)nn12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H18FN3O2/c1-14-12-23(17-9-7-15(21)8-10-17)20(25)19-11-16(22-24(14)19)13-26-18-5-3-2-4-6-18/h2-11,14H,12-13H2,1H3/t14-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 267n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50122118
PNG
(CHEMBL3617495)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccccc3)nn12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H18FN3O2/c1-14-12-23(17-9-7-15(21)8-10-17)20(25)19-11-16(22-24(14)19)13-26-18-5-3-2-4-6-18/h2-11,14H,12-13H2,1H3/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 46n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50122118
PNG
(CHEMBL3617495)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccccc3)nn12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H18FN3O2/c1-14-12-23(17-9-7-15(21)8-10-17)20(25)19-11-16(22-24(14)19)13-26-18-5-3-2-4-6-18/h2-11,14H,12-13H2,1H3/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 46n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50122118
PNG
(CHEMBL3617495)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccccc3)nn12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H18FN3O2/c1-14-12-23(17-9-7-15(21)8-10-17)20(25)19-11-16(22-24(14)19)13-26-18-5-3-2-4-6-18/h2-11,14H,12-13H2,1H3/t14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 269n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair