Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50236742'   

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))	BDBM50236742 (CHEMBL4098854) Show SMILES Fc1ccc(cc1)-c1c(cnc2c(F)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H11Cl2F2NO2S/c22-13-8-14(23)10-16(9-13)29(27,28)19-11-26-21-17(2-1-3-18(21)25)20(19)12-4-6-15(24)7-5-12/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebrocortical membranes after 60 mins				J Med Chem 60: 2470-2484 (2017) Article DOI: 10.1021/acs.jmedchem.6b01858 BindingDB Entry DOI: 10.7270/Q2RV0R05
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50236742 (CHEMBL4098854) Show SMILES Fc1ccc(cc1)-c1c(cnc2c(F)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C21H11Cl2F2NO2S/c22-13-8-14(23)10-16(9-13)29(27,28)19-11-26-21-17(2-1-3-18(21)25)20(19)12-4-6-15(24)7-5-12/h1-11H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5a expressed in CHO cells assessed as reduction in DHPG-induced cytosolic Ca2+ influx after 10 to 20 min...				J Med Chem 60: 2470-2484 (2017) Article DOI: 10.1021/acs.jmedchem.6b01858 BindingDB Entry DOI: 10.7270/Q2RV0R05
					More data for this Ligand-Target Pair