Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50349562'   

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 (Homo sapiens (Human))	BDBM50349562 (CHEMBL1808882) Show SMILES Cc1cc(ncc1C1CCCN1C(=O)C1CCS(=O)(=O)C1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN2O3S/c1-14-10-19(15-4-2-5-17(22)11-15)23-12-18(14)20-6-3-8-24(20)21(25)16-7-9-28(26,27)13-16/h2,4-5,10-12,16,20H,3,6-9,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from human mGluR5 expressed in CHO cells after 60 mins				Bioorg Med Chem Lett 21: 4891-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.014 BindingDB Entry DOI: 10.7270/Q2CN748G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50349562 (CHEMBL1808882) Show SMILES Cc1cc(ncc1C1CCCN1C(=O)C1CCS(=O)(=O)C1)-c1cccc(Cl)c1 Show InChI InChI=1S/C21H23ClN2O3S/c1-14-10-19(15-4-2-5-17(22)11-15)23-12-18(14)20-6-3-8-24(20)21(25)16-7-9-28(26,27)13-16/h2,4-5,10-12,16,20H,3,6-9,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lundbeck Research USA, Inc. Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium mobilization aft...				Bioorg Med Chem Lett 21: 4891-9 (2011) Article DOI: 10.1016/j.bmcl.2011.06.014 BindingDB Entry DOI: 10.7270/Q2CN748G
					More data for this Ligand-Target Pair