Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50187641'   

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))	BDBM50187641 (CHEMBL209183 | N-(4-nitrocinnamoyl)-1,3-diphenyl-5...) Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)Nc2cc(nn2-c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H18N4O3/c29-24(16-13-18-11-14-21(15-12-18)28(30)31)25-23-17-22(19-7-3-1-4-8-19)26-27(23)20-9-5-2-6-10-20/h1-17H,(H,25,29)/b16-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.81E+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))	BDBM50187641 (CHEMBL209183 | N-(4-nitrocinnamoyl)-1,3-diphenyl-5...) Show SMILES [O-][N+](=O)c1ccc(\C=C\C(=O)Nc2cc(nn2-c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H18N4O3/c29-24(16-13-18-11-14-21(15-12-18)28(30)31)25-23-17-22(19-7-3-1-4-8-19)26-27(23)20-9-5-2-6-10-20/h1-17H,(H,25,29)/b16-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	560	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