Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM50336917'   

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))	BDBM50336917 (3-chloro-N-(4-chlorophenyl)-5-(4,5-dimethyl-1-prop...) Show SMILES CCCn1c(C)c(C)nc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 Show InChI InChI=1S/C19H20Cl2N4/c1-4-9-25-13(3)12(2)23-19(25)14-10-17(21)18(22-11-14)24-16-7-5-15(20)6-8-16/h5-8,10-11H,4,9H2,1-3H3,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human mGlu5 receptor assessed as inhibition of glutamate-induced calcium flux by cell based assay				ACS Med Chem Lett 2: 58-62 (2011) Article DOI: 10.1021/ml100215b BindingDB Entry DOI: 10.7270/Q22R3RZM
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