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BDBM50105830 CHEMBL3597604

SMILES: Cc1cccc(n1)C#C\C=C1\CCCN(C1)c1nc(C)ccc1[N+]([O-])=O

InChI Key: InChIKey=NQDVPJBFJIXQOL-IDUWFGFVSA-N

Data: 2 KI

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 = 50105830   
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))
BDBM50105830
PNG
(CHEMBL3597604)
Show SMILES Cc1cccc(n1)C#C\C=C1\CCCN(C1)c1nc(C)ccc1[N+]([O-])=O
Show InChI InChI=1S/C20H20N4O2/c1-15-6-3-9-18(21-15)10-4-7-17-8-5-13-23(14-17)20-19(24(25)26)12-11-16(2)22-20/h3,6-7,9,11-12H,5,8,13-14H2,1-2H3/b17-7-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
264n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50105830
PNG
(CHEMBL3597604)
Show SMILES Cc1cccc(n1)C#C\C=C1\CCCN(C1)c1nc(C)ccc1[N+]([O-])=O
Show InChI InChI=1S/C20H20N4O2/c1-15-6-3-9-18(21-15)10-4-7-17-8-5-13-23(14-17)20-19(24(25)26)12-11-16(2)22-20/h3,6-7,9,11-12H,5,8,13-14H2,1-2H3/b17-7-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from rat cloned mGluR1 receptor expressed in CHO-T-Rex cells after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair