Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50334119'   

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))	BDBM50334119 ((3-(3-phenylprop-1-ynyl)phenyl)(4-(pyridin-2-yl)pi...) Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#CCc1ccccc1 Show InChI InChI=1S/C25H23N3O/c29-25(28-18-16-27(17-19-28)24-14-4-5-15-26-24)23-13-7-12-22(20-23)11-6-10-21-8-2-1-3-9-21/h1-5,7-9,12-15,20H,10,16-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	139	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))	BDBM50334119 ((3-(3-phenylprop-1-ynyl)phenyl)(4-(pyridin-2-yl)pi...) Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#CCc1ccccc1 Show InChI InChI=1S/C25H23N3O/c29-25(28-18-16-27(17-19-28)24-14-4-5-15-26-24)23-13-7-12-22(20-23)11-6-10-21-8-2-1-3-9-21/h1-5,7-9,12-15,20H,10,16-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	163	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