Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isoform 1 of Metabotropic glutamate receptor 5 (5a)' and Ligand = 'BDBM199985'   

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))	BDBM199985 (US9227959, Reference Compound 1, Ex. 35) Show SMILES CC1(C)CN(CCO1)C(=O)c1ccc(cn1)C#Cc1cccc(F)c1 Show InChI InChI=1S/C20H19FN2O2/c1-20(2)14-23(10-11-25-20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	201	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Hoffman-La Roche Inc. US Patent					Assay Description For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...				US Patent US9227959 (2016) BindingDB Entry DOI: 10.7270/Q25D8QNJ
					More data for this Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a) (Homo sapiens (Human))	BDBM199985 (US9227959, Reference Compound 1, Ex. 35) Show SMILES CC1(C)CN(CCO1)C(=O)c1ccc(cn1)C#Cc1cccc(F)c1 Show InChI InChI=1S/C20H19FN2O2/c1-20(2)14-23(10-11-25-20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	46	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 US9227959 (2016) BindingDB Entry DOI: 10.7270/Q25D8QNJ
					More data for this Ligand-Target Pair