Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50323376'   

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))	BDBM50323376 (1,2-dicyclohexyl-3-(furan-2-yl)propan-1-one O-3-ch...) Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2ccco2)C2CCCCC2)C2CCCCC2)c1 Show InChI InChI=1S/C26H33ClN2O3/c27-21-13-7-14-22(17-21)28-26(30)32-29-25(20-11-5-2-6-12-20)24(18-23-15-8-16-31-23)19-9-3-1-4-10-19/h7-8,13-17,19-20,24H,1-6,9-12,18H2,(H,28,30)/b29-25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	438	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Antagonist activity at mGLUR5 in rat E17 cells assessed as calcium accumulation by fluorimetry				Bioorg Med Chem Lett 20: 4371-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.075 BindingDB Entry DOI: 10.7270/Q2G1611F
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50323376 (1,2-dicyclohexyl-3-(furan-2-yl)propan-1-one O-3-ch...) Show SMILES Clc1cccc(NC(=O)O\N=C(\C(Cc2ccco2)C2CCCCC2)C2CCCCC2)c1 Show InChI InChI=1S/C26H33ClN2O3/c27-21-13-7-14-22(17-21)28-26(30)32-29-25(20-11-5-2-6-12-20)24(18-23-15-8-16-31-23)19-9-3-1-4-10-19/h7-8,13-17,19-20,24H,1-6,9-12,18H2,(H,28,30)/b29-25+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Gedeon Richter Plc Curated by ChEMBL					Assay Description Antagonist activity at mGLUR5 in rat E17 cells assessed as calcium accumulation by fluorimetry				Bioorg Med Chem Lett 20: 4371-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.075 BindingDB Entry DOI: 10.7270/Q2G1611F
					More data for this Ligand-Target Pair