Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isoform 1 of Metabotropic glutamate receptor 5 (5a)' and Ligand = 'BDBM222828'   

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
Isoform 1 of Metabotropic glutamate receptor 5 (5a) (Homo sapiens (Human))	BDBM222828 (US9315498, 119) Show SMILES CC1(C)CN(C(=O)C1)c1ncc(cn1)C#Cc1cccc(Cl)c1 Show InChI InChI=1S/C18H16ClN3O/c1-18(2)9-16(23)22(12-18)17-20-10-14(11-21-17)7-6-13-4-3-5-15(19)8-13/h3-5,8,10-11H,9,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	37
HOFFMAN-LA ROCHE INC. US Patent					Assay Description A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...				US Patent US9315498 (2016) BindingDB Entry DOI: 10.7270/Q23T9G2X
					More data for this Ligand-Target Pair