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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor' and Ligand = 'BDBM50316005'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50316005
PNG
(7,9-Diamino-3-p-tolyl-3H-thieno[2,3-d:4,5-d']dipyr...)
Show SMILES Cc1ccc(cc1)-n1cnc2c3c(N)nc(N)nc3sc2c1=O
Show InChI InChI=1S/C15H12N6OS/c1-7-2-4-8(5-3-7)21-6-18-10-9-12(16)19-15(17)20-13(9)23-11(10)14(21)22/h2-6H,1H3,(H4,16,17,19,20)
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PC cid
PC sid
UniChem

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Article
PubMed
9.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 20: 2474-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.004
BindingDB Entry DOI: 10.7270/Q2TT4R39
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50316005
PNG
(7,9-Diamino-3-p-tolyl-3H-thieno[2,3-d:4,5-d']dipyr...)
Show SMILES Cc1ccc(cc1)-n1cnc2c3c(N)nc(N)nc3sc2c1=O
Show InChI InChI=1S/C15H12N6OS/c1-7-2-4-8(5-3-7)21-6-18-10-9-12(16)19-15(17)20-13(9)23-11(10)14(21)22/h2-6H,1H3,(H4,16,17,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
9.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 20: 2474-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.004
BindingDB Entry DOI: 10.7270/Q2TT4R39
More data for this
Ligand-Target Pair