Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50312096'   

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))	BDBM50312096 (CHEMBL1080481 | N-(3-(3-chlorobenzamido)phenyl)-2-...) Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H17ClN2O3/c1-27-19-11-3-2-10-18(19)21(26)24-17-9-5-8-16(13-17)23-20(25)14-6-4-7-15(22)12-14/h2-13H,1H3,(H,23,25)(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	301	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Displacement of [3H]3-methoxy-5-(2-pyridinylethynyl) pyridine from mGluR5				Bioorg Med Chem Lett 19: 6502-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.059 BindingDB Entry DOI: 10.7270/Q2JD4WZJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50312096 (CHEMBL1080481 | N-(3-(3-chlorobenzamido)phenyl)-2-...) Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H17ClN2O3/c1-27-19-11-3-2-10-18(19)21(26)24-17-9-5-8-16(13-17)23-20(25)14-6-4-7-15(22)12-14/h2-13H,1H3,(H,23,25)(H,24,26)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at mGluR5				Bioorg Med Chem Lett 19: 6502-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.059 BindingDB Entry DOI: 10.7270/Q2JD4WZJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50312096 (CHEMBL1080481 | N-(3-(3-chlorobenzamido)phenyl)-2-...) Show SMILES COc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 Show InChI InChI=1S/C21H17ClN2O3/c1-27-19-11-3-2-10-18(19)21(26)24-17-9-5-8-16(13-17)23-20(25)14-6-4-7-15(22)12-14/h2-13H,1H3,(H,23,25)(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR5 expressed in human HEK293A cells assessed as inhibition of glutamate-induced calcium flux				Bioorg Med Chem Lett 19: 6502-6 (2009) Article DOI: 10.1016/j.bmcl.2009.10.059 BindingDB Entry DOI: 10.7270/Q2JD4WZJ
					More data for this Ligand-Target Pair