Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50392438'   

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))	BDBM50392438 (CHEMBL2151805) Show SMILES O=C(NC1CCCCC1)c1ccc(OCc2ccccc2)nc1 Show InChI InChI=1S/C19H22N2O2/c22-19(21-17-9-5-2-6-10-17)16-11-12-18(20-13-16)23-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization				Bioorg Med Chem Lett 22: 6481-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.043 BindingDB Entry DOI: 10.7270/Q2KD200S
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50392438 (CHEMBL2151805) Show SMILES O=C(NC1CCCCC1)c1ccc(OCc2ccccc2)nc1 Show InChI InChI=1S/C19H22N2O2/c22-19(21-17-9-5-2-6-10-17)16-11-12-18(20-13-16)23-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	33.9	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of rat mGluR5 expressed in human HEK293 cells assessed as calcium mobilization				Bioorg Med Chem Lett 22: 6481-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.043 BindingDB Entry DOI: 10.7270/Q2KD200S
					More data for this Ligand-Target Pair