Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50334122'   

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))	BDBM50334122 ((3-(phenylethynyl)phenyl)(4-(pyrazin-2-yl)piperazi...) Show SMILES O=C(N1CCN(CC1)c1cnccn1)c1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C23H20N4O/c28-23(27-15-13-26(14-16-27)22-18-24-11-12-25-22)21-8-4-7-20(17-21)10-9-19-5-2-1-3-6-19/h1-8,11-12,17-18H,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	401	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50334122 ((3-(phenylethynyl)phenyl)(4-(pyrazin-2-yl)piperazi...) Show SMILES O=C(N1CCN(CC1)c1cnccn1)c1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C23H20N4O/c28-23(27-15-13-26(14-16-27)22-18-24-11-12-25-22)21-8-4-7-20(17-21)10-9-19-5-2-1-3-6-19/h1-8,11-12,17-18H,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair