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BDBM50134479 CHEMBL3745901

SMILES: Fc1ccccc1N1CCn2nc(COc3ccccc3)cc2C1=O

InChI Key: InChIKey=LBXATWSNQVYPIT-UHFFFAOYSA-N

Data: 2 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 = 50134479   
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))
BDBM50134479
PNG
(CHEMBL3745901)
Show SMILES Fc1ccccc1N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H16FN3O2/c20-16-8-4-5-9-17(16)22-10-11-23-18(19(22)24)12-14(21-23)13-25-15-6-2-1-3-7-15/h1-9,12H,10-11,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 158n/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134479
PNG
(CHEMBL3745901)
Show SMILES Fc1ccccc1N1CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C19H16FN3O2/c20-16-8-4-5-9-17(16)22-10-11-23-18(19(22)24)12-14(21-23)13-25-15-6-2-1-3-7-15/h1-9,12H,10-11,13H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 160n/an/an/an/a



Janssen Pharmaceutica NV

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair