Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50139450'   

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))	BDBM50139450 (CHEMBL3764138) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClNO2S/c1-15-6-12-18(13-7-15)27(25,26)21-14-24-20-5-3-2-4-19(20)22(21)16-8-10-17(23)11-9-16/h2-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	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]MPEP from rat mGlu5 receptor expressed in rat cerebrocortical membrane measured after 1 hr				Bioorg Med Chem Lett 26: 1249-52 (2016) Article DOI: 10.1016/j.bmcl.2016.01.024 BindingDB Entry DOI: 10.7270/Q2930W1N
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50139450 (CHEMBL3764138) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClNO2S/c1-15-6-12-18(13-7-15)27(25,26)21-14-24-20-5-3-2-4-19(20)22(21)16-8-10-17(23)11-9-16/h2-14H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	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))	BDBM50139450 (CHEMBL3764138) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClNO2S/c1-15-6-12-18(13-7-15)27(25,26)21-14-24-20-5-3-2-4-19(20)22(21)16-8-10-17(23)11-9-16/h2-14H,1H3	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
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]M-MPEP from recombinant human mGluR5a expressed in human A18 cell membrane homogenate 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))	BDBM50139450 (CHEMBL3764138) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cnc2ccccc2c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H16ClNO2S/c1-15-6-12-18(13-7-15)27(25,26)21-14-24-20-5-3-2-4-19(20)22(21)16-8-10-17(23)11-9-16/h2-14H,1H3	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
Gedeon Richter Plc Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from recombinant human mGluR5a expressed in A18 cells measured after 1 hr				Bioorg Med Chem Lett 26: 1249-52 (2016) Article DOI: 10.1016/j.bmcl.2016.01.024 BindingDB Entry DOI: 10.7270/Q2930W1N
					More data for this Ligand-Target Pair