Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM141509'   

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))	BDBM141509 (US8921370, 176 | US9656975, 176) Show SMILES Cc1cccc(NC(=O)C23CCC(C2)(CCC3)NC(=O)c2cccc(Cl)c2)n1 Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)25-20(28)21-9-4-10-22(14-21,12-11-21)26-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,26,27)(H,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	500	-36.0	n/a	n/a	n/a	n/a	n/a	7.4	25
H. Lundbeck A/S US Patent					Assay Description Binding assays were performed as described in [J. A. O'Brien et al. Mol. Pharmacol., 2003, 64, 731-740] with slight modifications, including that a r...				US Patent US8921370 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S3C
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM141509 (US8921370, 176 | US9656975, 176) Show SMILES Cc1cccc(NC(=O)C23CCC(C2)(CCC3)NC(=O)c2cccc(Cl)c2)n1 Show InChI InChI=1S/C22H24ClN3O2/c1-15-5-2-8-18(24-15)25-20(28)21-9-4-10-22(14-21,12-11-21)26-19(27)16-6-3-7-17(23)13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,26,27)(H,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	7.4	37
H. Lundbeck A/S US Patent					Assay Description The cDNA for rat metabotropic glutamate receptor 5 (rmGluR5) and the cDNA for human metabotropic glutamate receptor 5 (rmGluR5) were generous gifts f...				US Patent US8921370 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S3C
					More data for this Ligand-Target Pair