Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50134453'   

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))	BDBM50134453 (CHEMBL3746604) Show SMILES Cc1ccc(OCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H18FN3O2/c1-14-2-8-18(9-3-14)26-13-16-12-19-20(25)23(10-11-24(19)22-16)17-6-4-15(21)5-7-17/h2-9,12H,10-11,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization				Bioorg Med Chem Lett 26: 429-34 (2016) Article DOI: 10.1016/j.bmcl.2015.11.098 BindingDB Entry DOI: 10.7270/Q2SJ1NGS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50134453 (CHEMBL3746604) Show SMILES Cc1ccc(OCc2cc3C(=O)N(CCn3n2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H18FN3O2/c1-14-2-8-18(9-3-14)26-13-16-12-19-20(25)23(10-11-24(19)22-16)17-6-4-15(21)5-7-17/h2-9,12H,10-11,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	302	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization				Bioorg Med Chem Lett 26: 429-34 (2016) Article DOI: 10.1016/j.bmcl.2015.11.098 BindingDB Entry DOI: 10.7270/Q2SJ1NGS
					More data for this Ligand-Target Pair