Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50334105'   

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))	BDBM50334105 ((4-methoxy-3-(phenylethynyl)phenyl)(4-(5-methylpyr...) Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc(C)cn1 Show InChI InChI=1S/C26H25N3O2/c1-20-8-13-25(27-19-20)28-14-16-29(17-15-28)26(30)23-11-12-24(31-2)22(18-23)10-9-21-6-4-3-5-7-21/h3-8,11-13,18-19H,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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))	BDBM50334105 ((4-methoxy-3-(phenylethynyl)phenyl)(4-(5-methylpyr...) Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc(C)cn1 Show InChI InChI=1S/C26H25N3O2/c1-20-8-13-25(27-19-20)28-14-16-29(17-15-28)26(30)23-11-12-24(31-2)22(18-23)10-9-21-6-4-3-5-7-21/h3-8,11-13,18-19H,14-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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