Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50156071'   

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))	BDBM50156071 (3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...) Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from human mGluR5				Bioorg Med Chem Lett 20: 7381-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.036 BindingDB Entry DOI: 10.7270/Q27S7P13
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50156071 (3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...) Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.76E+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				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50156071 (3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...) Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGluR5 stably expressed in CHO cells assessed as Ca2+ flux by FLIPR assay				J Med Chem 56: 7976-96 (2013) Article DOI: 10.1021/jm401028t BindingDB Entry DOI: 10.7270/Q2571DFR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50156071 (3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...) Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	178	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGluR5a transfected in HEK293 cells by calcium mobilization assay				J Med Chem 56: 7243-59 (2013) Article DOI: 10.1021/jm400650w BindingDB Entry DOI: 10.7270/Q2F19152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50156071 (3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...) Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	176	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGluR5a transfected in HEK293 cells by calcium mobilization assay				J Med Chem 56: 7243-59 (2013) Article DOI: 10.1021/jm400650w BindingDB Entry DOI: 10.7270/Q2F19152
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50156071 (3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...) Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against metabotropic glutamate receptor 5 of rat				J Med Chem 47: 5825-8 (2004) Article DOI: 10.1021/jm049400d BindingDB Entry DOI: 10.7270/Q2HQ3ZC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50156071 (3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...) Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective concentration against metabotropic glutamate receptor 5 of human transfected into CHO cells				J Med Chem 47: 5825-8 (2004) Article DOI: 10.1021/jm049400d BindingDB Entry DOI: 10.7270/Q2HQ3ZC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50156071 (3-Cyano-N-(2,5-diphenyl-2H-pyrazol-3-yl)-benzamide...) Show SMILES O=C(Nc1cc(nn1-c1ccccc1)-c1ccccc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	77	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				3D Structure (crystal)