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SMILES: C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cn1

InChI Key: InChIKey=FGVQJXXTURXJIB-LLVKDONJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50122176   
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))
BDBM50122176
PNG
(CHEMBL3617654)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C18H15ClFN5O2/c1-11-9-24(16-4-3-13(20)8-21-16)18(26)15-6-14(23-25(11)15)10-27-17-5-2-12(19)7-22-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 257n/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))
BDBM50122176
PNG
(CHEMBL3617654)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C18H15ClFN5O2/c1-11-9-24(16-4-3-13(20)8-21-16)18(26)15-6-14(23-25(11)15)10-27-17-5-2-12(19)7-22-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a<1.00E+4n/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))
BDBM50122176
PNG
(CHEMBL3617654)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C18H15ClFN5O2/c1-11-9-24(16-4-3-13(20)8-21-16)18(26)15-6-14(23-25(11)15)10-27-17-5-2-12(19)7-22-17/h2-8,11H,9-10H2,1H3/t11-/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>1.00E+4n/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))
BDBM50122176
PNG
(CHEMBL3617654)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cn1 |r|
Show InChI InChI=1S/C18H15ClFN5O2/c1-11-9-24(16-4-3-13(20)8-21-16)18(26)15-6-14(23-25(11)15)10-27-17-5-2-12(19)7-22-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 260n/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