Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50181065'   

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))	BDBM50181065 (2-chloro-6-((2-chloropyridin-4-yl)methoxy)isonicot...) Show SMILES Clc1cc(COc2cc(cc(Cl)n2)C#N)ccn1 Show InChI InChI=1S/C12H7Cl2N3O/c13-10-3-8(1-2-16-10)7-18-12-5-9(6-15)4-11(14)17-12/h1-5H,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffman-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from recombinant human mGlu5 receptor				Bioorg Med Chem Lett 16: 1892-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.088 BindingDB Entry DOI: 10.7270/Q2ZG6RT8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50181065 (2-chloro-6-((2-chloropyridin-4-yl)methoxy)isonicot...) Show SMILES Clc1cc(COc2cc(cc(Cl)n2)C#N)ccn1 Show InChI InChI=1S/C12H7Cl2N3O/c13-10-3-8(1-2-16-10)7-18-12-5-9(6-15)4-11(14)17-12/h1-5H,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffman-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of mGlu5 receptor by FLIPR				Bioorg Med Chem Lett 16: 1892-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.088 BindingDB Entry DOI: 10.7270/Q2ZG6RT8
					More data for this Ligand-Target Pair