Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50323295'   

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))	BDBM50323295 (CHEMBL1209391) Show SMILES Fc1cc(cc(c1)C(=O)NC1C2CC3CC(C2)CC1C3)C#N |TLB:9:10:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.19:10,17:15:12:19.18.10,17:18:12:16.14.15,(14.33,-18.54,;14.33,-17,;15.67,-16.23,;15.67,-14.68,;14.33,-13.91,;13,-14.68,;13,-16.23,;11.67,-13.91,;11.67,-12.37,;10.33,-14.69,;9,-13.92,;8.98,-12.43,;10.16,-11.14,;8.67,-11.58,;7.26,-11.02,;6.25,-12.31,;7.65,-11.95,;6.26,-13.84,;7.66,-14.41,;8.69,-13.17,;17,-13.9,;18.32,-13.13,)| Show InChI InChI=1S/C18H19FN2O/c19-16-7-12(9-20)6-15(8-16)18(22)21-17-13-2-10-1-11(4-13)5-14(17)3-10/h6-8,10-11,13-14,17H,1-5H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization				Bioorg Med Chem Lett 20: 4390-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.064 BindingDB Entry DOI: 10.7270/Q2V9888D
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