Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50240893'   

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))	BDBM50240893 (CHEMBL4072424) Show SMILES O=c1cc(OCCC2CC2)nc2COC[C@@H](Cc3ccccc3)n12 |r| Show InChI InChI=1S/C19H22N2O3/c22-19-11-18(24-9-8-14-6-7-14)20-17-13-23-12-16(21(17)19)10-15-4-2-1-3-5-15/h1-5,11,14,16H,6-10,12-13H2/t16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]MPEPy from human mGlu5 expressed in HEK293FT cell membranes after 1 hr by liquid scintillation counting				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50240893 (CHEMBL4072424) Show SMILES O=c1cc(OCCC2CC2)nc2COC[C@@H](Cc3ccccc3)n12 |r| Show InChI InChI=1S/C19H22N2O3/c22-19-11-18(24-9-8-14-6-7-14)20-17-13-23-12-16(21(17)19)10-15-4-2-1-3-5-15/h1-5,11,14,16H,6-10,12-13H2/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity towards [3H]cocaine binding to rat striatal tissue				J Med Chem 60: 7764-7780 (2017) Article DOI: 10.1021/acs.jmedchem.7b00604 BindingDB Entry DOI: 10.7270/Q2DJ5HS8
					More data for this Ligand-Target Pair