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BDBM50392346 CHEMBL2151475

SMILES: Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccc(F)c(F)c1

InChI Key: InChIKey=YRMBUFSMIPFEGY-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50392346   
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


(Homo sapiens (Human))
BDBM50392346
PNG
(CHEMBL2151475)
Show SMILES Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H12F3N3O2/c19-13-3-1-2-10(6-13)16-22-17(26-23-16)12-8-24(9-12)18(25)11-4-5-14(20)15(21)7-11/h1-7,12H,8-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50392346
PNG
(CHEMBL2151475)
Show SMILES Fc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H12F3N3O2/c19-13-3-1-2-10(6-13)16-22-17(26-23-16)12-8-24(9-12)18(25)11-4-5-14(20)15(21)7-11/h1-7,12H,8-9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.20E+3n/an/an/an/a



Lundbeck Research USA

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in recombinant HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 22: 6469-74 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.044
BindingDB Entry DOI: 10.7270/Q23F4QR3
More data for this
Ligand-Target Pair