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BDBM50064474 CHEMBL3401204

SMILES: Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)c(Cl)n2C1=O

InChI Key: InChIKey=DRXSBJILZHMYIN-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50064474   
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


(Rattus norvegicus (Rat))
BDBM50064474
PNG
(CHEMBL3401204)
Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)c(Cl)n2C1=O
Show InChI InChI=1S/C19H15ClFN3O2/c20-18-16(12-26-15-4-2-1-3-5-15)22-17-10-11-23(19(25)24(17)18)14-8-6-13(21)7-9-14/h1-9H,10-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 1310-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.038
BindingDB Entry DOI: 10.7270/Q2057HNQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50064474
PNG
(CHEMBL3401204)
Show SMILES Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)c(Cl)n2C1=O
Show InChI InChI=1S/C19H15ClFN3O2/c20-18-16(12-26-15-4-2-1-3-5-15)22-17-10-11-23(19(25)24(17)18)14-8-6-13(21)7-9-14/h1-9H,10-12H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 132n/an/an/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 1310-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.038
BindingDB Entry DOI: 10.7270/Q2057HNQ
More data for this
Ligand-Target Pair