Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50105833'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50105833 (CHEMBL3597593) Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1 Show InChI InChI=1S/C18H16N4O2/c23-22(24)17-8-4-12-20-18(17)21-13-9-15(10-14-21)5-3-7-16-6-1-2-11-19-16/h1-2,4-6,8,11-12H,9-10,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry				Bioorg Med Chem 23: 3040-58 (2015) Article DOI: 10.1016/j.bmc.2015.05.008 BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50105833 (CHEMBL3597593) Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1 Show InChI InChI=1S/C18H16N4O2/c23-22(24)17-8-4-12-20-18(17)21-13-9-15(10-14-21)5-3-7-16-6-1-2-11-19-16/h1-2,4-6,8,11-12H,9-10,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry				Bioorg Med Chem 23: 3040-58 (2015) Article DOI: 10.1016/j.bmc.2015.05.008 BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50105833 (CHEMBL3597593) Show SMILES [#8-]-[#7+](=O)-c1cccnc1-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1ccccn1 Show InChI InChI=1S/C18H16N4O2/c23-22(24)17-8-4-12-20-18(17)21-13-9-15(10-14-21)5-3-7-16-6-1-2-11-19-16/h1-2,4-6,8,11-12H,9-10,13-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Modena and Reggio Emilia Curated by ChEMBL					Assay Description Negative allosteric modulatory activity at human cloned mGluR5 receptor expressed in CHO-T-Rex cells assessed as inhibiton of quisqualate-induced cal...				Bioorg Med Chem 23: 3040-58 (2015) Article DOI: 10.1016/j.bmc.2015.05.008 BindingDB Entry DOI: 10.7270/Q2PK0HX0
					More data for this Ligand-Target Pair