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BDBM50401689 CHEMBL2205920

SMILES: COc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O

InChI Key: InChIKey=FIYKKDYTSVKXEL-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 = 50401689   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50401689
PNG
(CHEMBL2205920)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
Show InChI InChI=1S/C17H15N5O2S/c1-21(2)15-12-13-14(25-16(12)19-8-18-15)17(23)22(9-20-13)10-4-6-11(24-3)7-5-10/h4-9H,1-3H3
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1


Bioorg Med Chem Lett 22: 7223-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.048
BindingDB Entry DOI: 10.7270/Q24B32GJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50401689
PNG
(CHEMBL2205920)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
Show InChI InChI=1S/C17H15N5O2S/c1-21(2)15-12-13-14(25-16(12)19-8-18-15)17(23)22(9-20-13)10-4-6-11(24-3)7-5-10/h4-9H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 22: 7223-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.048
BindingDB Entry DOI: 10.7270/Q24B32GJ
More data for this
Ligand-Target Pair