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SMILES: Fc1cccc(CC(C2CCCCC2)C(=N\OC(=O)Nc2cccc(Cl)c2)\C2CCCCC2)c1

InChI Key: InChIKey=IDGHBLJDJAIAAN-QVAGMWBUSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50323366   
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 5


(Rattus norvegicus (Rat))
BDBM50323366
PNG
(1,2-dicyclohexyl-3-(3-fluorophenyl)propan-1-one O-...)
Show SMILES Fc1cccc(CC(C2CCCCC2)C(=N\OC(=O)Nc2cccc(Cl)c2)\C2CCCCC2)c1
Show InChI InChI=1S/C28H34ClFN2O2/c29-23-14-8-16-25(19-23)31-28(33)34-32-27(22-12-5-2-6-13-22)26(21-10-3-1-4-11-21)18-20-9-7-15-24(30)17-20/h7-9,14-17,19,21-22,26H,1-6,10-13,18H2,(H,31,33)/b32-27+
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MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from rat mGLUR5


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323366
PNG
(1,2-dicyclohexyl-3-(3-fluorophenyl)propan-1-one O-...)
Show SMILES Fc1cccc(CC(C2CCCCC2)C(=N\OC(=O)Nc2cccc(Cl)c2)\C2CCCCC2)c1
Show InChI InChI=1S/C28H34ClFN2O2/c29-23-14-8-16-25(19-23)31-28(33)34-32-27(22-12-5-2-6-13-22)26(21-10-3-1-4-11-21)18-20-9-7-15-24(30)17-20/h7-9,14-17,19,21-22,26H,1-6,10-13,18H2,(H,31,33)/b32-27+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 127n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Antagonist activity at mGLUR5 in rat E17 cells assessed as calcium accumulation by fluorimetry


Bioorg Med Chem Lett 20: 4371-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.075
BindingDB Entry DOI: 10.7270/Q2G1611F
More data for this
Ligand-Target Pair