Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50187650'   

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))	BDBM50187650 (3-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4O3/c27-22(17-10-7-13-19(14-17)26(28)29)23-21-15-20(16-8-3-1-4-9-16)24-25(21)18-11-5-2-6-12-18/h1-15H,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells				J Med Chem 49: 3332-44 (2006) Article DOI: 10.1021/jm051252j BindingDB Entry DOI: 10.7270/Q2PR7VK1
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50187650 (3-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide ...) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cc(nn1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4O3/c27-22(17-10-7-13-19(14-17)26(28)29)23-21-15-20(16-8-3-1-4-9-16)24-25(21)18-11-5-2-6-12-18/h1-15H,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	39	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Activity at mGluR5 assessed as potentiation of glutamate-induced calcium flux in rat astrocytes				J Med Chem 49: 3332-44 (2006) Article DOI: 10.1021/jm051252j BindingDB Entry DOI: 10.7270/Q2PR7VK1
					More data for this Ligand-Target Pair