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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 1' and Ligand = 'BDBM50345920'   
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 1


(RAT)
BDBM50345920
PNG
(3-(4-Methoxy-phenyl)-9-prop-2-ynylamino-3H-thieno[...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Show InChI InChI=1S/C18H13N5O2S/c1-3-8-19-16-13-14-15(26-17(13)21-9-20-16)18(24)23(10-22-14)11-4-6-12(25-2)7-5-11/h1,4-7,9-10H,8H2,2H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50345920
PNG
(3-(4-Methoxy-phenyl)-9-prop-2-ynylamino-3H-thieno[...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Show InChI InChI=1S/C18H13N5O2S/c1-3-8-19-16-13-14-15(26-17(13)21-9-20-16)18(24)23(10-22-14)11-4-6-12(25-2)7-5-11/h1,4-7,9-10H,8H2,2H3,(H,19,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair