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SMILES: Clc1cccc(NC(=O)O\N=C(\C(Cc2ccsc2)C2CCCCC2)C2CCCCC2)c1

InChI Key: InChIKey=XIHIRUKHULYCKB-XLVZBRSZSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50323377   
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))
BDBM50323377
PNG
((3-chlorophenylamino)(1,2-dicyclohexyl-3-(5-thioxo...)
Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2ccsc2)C2CCCCC2)C2CCCCC2)c1
Show InChI InChI=1S/C26H33ClN2O2S/c27-22-12-7-13-23(17-22)28-26(30)31-29-25(21-10-5-2-6-11-21)24(16-19-14-15-32-18-19)20-8-3-1-4-9-20/h7,12-15,17-18,20-21,24H,1-6,8-11,16H2,(H,28,30)/b29-25+
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
14n/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))
BDBM50323377
PNG
((3-chlorophenylamino)(1,2-dicyclohexyl-3-(5-thioxo...)
Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2ccsc2)C2CCCCC2)C2CCCCC2)c1
Show InChI InChI=1S/C26H33ClN2O2S/c27-22-12-7-13-23(17-22)28-26(30)31-29-25(21-10-5-2-6-11-21)24(16-19-14-15-32-18-19)20-8-3-1-4-9-20/h7,12-15,17-18,20-21,24H,1-6,8-11,16H2,(H,28,30)/b29-25+
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 477n/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