Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50339074'   

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))	BDBM50339074 (Adamantan-1-yl-(4-thiazol-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 |TLB:17:18:15.16.21:22,THB:17:16:22:23.18.19,19:18:15:21.20.22,19:20:15:23.17.18| Show InChI InChI=1S/C20H27N3O/c24-19(20-12-15-9-16(13-20)11-17(10-15)14-20)23-7-5-22(6-8-23)18-3-1-2-4-21-18/h1-4,15-17H,5-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of mGluR5				Bioorg Med Chem Lett 19: 3209-13 (2009) Article DOI: 10.1016/j.bmcl.2009.04.110 BindingDB Entry DOI: 10.7270/Q29S1RCR
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50339074 (Adamantan-1-yl-(4-thiazol-2-yl-piperazin-1-yl)-met...) Show SMILES O=C(N1CCN(CC1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 |TLB:17:18:15.16.21:22,THB:17:16:22:23.18.19,19:18:15:21.20.22,19:20:15:23.17.18| Show InChI InChI=1S/C20H27N3O/c24-19(20-12-15-9-16(13-20)11-17(10-15)14-20)23-7-5-22(6-8-23)18-3-1-2-4-21-18/h1-4,15-17H,5-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Negative allosteric modulation at rat mGluR5 receptor				ACS Med Chem Lett 1: 433-438 (2010) Article DOI: 10.1021/ml100181a BindingDB Entry DOI: 10.7270/Q2DJ5FX7
					More data for this Ligand-Target Pair