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SMILES: O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cccc(n1)C#Cc1ccccc1

InChI Key: InChIKey=RMPCVUXFUQSOII-NHCUHLMSSA-N

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 = 50536707   
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))
BDBM50536707
PNG
(CHEMBL4552721)
Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cccc(n1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)17-10-5-2-6-11-17)19-13-7-12-18(23-19)15-14-16-8-3-1-4-9-16/h1-13,20-21H,(H,24,25)/t20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEPy from human mGluR5A transfected in HEK293 cell membranes after 60 mins by microbeta liquid scintillation counting analysis


Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50536707
PNG
(CHEMBL4552721)
Show SMILES O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cccc(n1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)17-10-5-2-6-11-17)19-13-7-12-18(23-19)15-14-16-8-3-1-4-9-16/h1-13,20-21H,(H,24,25)/t20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.40n/an/an/an/a



Bristol-Myers Squibb Research & Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5A transfected in HEK293 cells assessed as potentiation of L-glutamate-induced calcium release incubated...


Bioorg Med Chem Lett 26: 4165-9 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.065
More data for this
Ligand-Target Pair