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BDBM50047913 CHEMBL3314816

SMILES: COc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1

InChI Key: InChIKey=SUHSYWOYGJRVMU-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 = 50047913   
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))
BDBM50047913
PNG
(CHEMBL3314816)
Show SMILES COc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Show InChI InChI=1S/C16H13N5O3/c1-23-12-4-2-3-11(5-12)16(22)21-14-8-17-9-15(20-14)24-13-6-18-10-19-7-13/h2-10H,1H3,(H,20,21,22)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.11E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at rat mGlu5 expressed in HEK293A cells assessed as reduction in glutamate-induced calcium mobilization


Bioorg Med Chem Lett 24: 3307-14 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.003
BindingDB Entry DOI: 10.7270/Q2ZW1NJP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50047913
PNG
(CHEMBL3314816)
Show SMILES COc1cccc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Show InChI InChI=1S/C16H13N5O3/c1-23-12-4-2-3-11(5-12)16(22)21-14-8-17-9-15(20-14)24-13-6-18-10-19-7-13/h2-10H,1H3,(H,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.07E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at rat mGlu5 expressed in HEK293A cells assessed as reduction in glutamate-induced calcium mobilization


Bioorg Med Chem Lett 24: 3307-14 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.003
BindingDB Entry DOI: 10.7270/Q2ZW1NJP
More data for this
Ligand-Target Pair