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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 = 'BDBM50345927'   
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)
BDBM50345927
PNG
(3-Benzothiazol-5-yl-9-prop-2-ynylamino-3H-thieno[2...)
Show SMILES O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2scnc2c1
Show InChI InChI=1S/C18H10N6OS2/c1-2-5-19-16-13-14-15(27-17(13)21-7-20-16)18(25)24(8-22-14)10-3-4-12-11(6-10)23-9-26-12/h1,3-4,6-9H,5H2,(H,19,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
65n/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))
BDBM50345927
PNG
(3-Benzothiazol-5-yl-9-prop-2-ynylamino-3H-thieno[2...)
Show SMILES O=c1n(cnc2c1sc1ncnc(NCC#C)c21)-c1ccc2scnc2c1
Show InChI InChI=1S/C18H10N6OS2/c1-2-5-19-16-13-14-15(27-17(13)21-7-20-16)18(25)24(8-22-14)10-3-4-12-11(6-10)23-9-26-12/h1,3-4,6-9H,5H2,(H,19,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 45n/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