Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50113470'   

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))	BDBM50113470 (CHEMBL3603917) Show SMILES Cc1cc(cc(c1)-c1ccnc(c1)-n1cccn1)C#N Show InChI InChI=1S/C16H12N4/c1-12-7-13(11-17)9-15(8-12)14-3-5-18-16(10-14)20-6-2-4-19-20/h2-10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis				J Med Chem 58: 6653-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00892 BindingDB Entry DOI: 10.7270/Q2H70HMZ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50113470 (CHEMBL3603917) Show SMILES Cc1cc(cc(c1)-c1ccnc(c1)-n1cccn1)C#N Show InChI InChI=1S/C16H12N4/c1-12-7-13(11-17)9-15(8-12)14-3-5-18-16(10-14)20-6-2-4-19-20/h2-10H,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	20	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Ltd. Curated by ChEMBL					Assay Description Negative allosteric modulation at human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of L-quisqualic acid-induced inositol phospha...				J Med Chem 58: 6653-64 (2015) Article DOI: 10.1021/acs.jmedchem.5b00892 BindingDB Entry DOI: 10.7270/Q2H70HMZ
					More data for this Ligand-Target Pair