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 = 'BDBM222884'   

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))	BDBM222884 (US9315498, 170) Show SMILES CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(nn1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H18N4O/c1-22-16-8-5-9-17(16)23(19(22)24)18-13-12-15(20-21-18)11-10-14-6-3-2-4-7-14/h2-4,6-7,12-13,16-17H,5,8-9H2,1H3/t16-,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	13	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
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