Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 1' and Ligand = 'BDBM50345967'   

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 1 (RAT)	BDBM50345967 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-9-(2-methyl-...) Show SMILES CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5OCCOc5c4)c3=O)c12 Show InChI InChI=1S/C20H17N5O3S/c1-11(2)8-21-18-15-16-17(29-19(15)23-9-22-18)20(26)25(10-24-16)12-3-4-13-14(7-12)28-6-5-27-13/h3-4,7,9-10H,1,5-6,8H2,2H3,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50345967 (3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-9-(2-methyl-...) Show SMILES CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5OCCOc5c4)c3=O)c12 Show InChI InChI=1S/C20H17N5O3S/c1-11(2)8-21-18-15-16-17(29-19(15)23-9-22-18)20(26)25(10-24-16)12-3-4-13-14(7-12)28-6-5-27-13/h3-4,7,9-10H,1,5-6,8H2,2H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/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