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SMILES: CCNc1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12

InChI Key: InChIKey=CNFAEBPKUNACJT-UHFFFAOYSA-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 = 50364717   
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 1


(RAT)
BDBM50364717
PNG
(CHEMBL1951889)
Show SMILES CCNc1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-3-19-16-14-13-8-9-22(12-6-4-11(2)5-7-12)18(23)15(13)24-17(14)21-10-20-16/h4-10H,3H2,1-2H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
52n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50364717
PNG
(CHEMBL1951889)
Show SMILES CCNc1ncnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-3-19-16-14-13-8-9-22(12-6-4-11(2)5-7-12)18(23)15(13)24-17(14)21-10-20-16/h4-10H,3H2,1-2H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair