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 = 'BDBM196706'   

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))	BDBM196706 (US9212171, 30 | US9212171, 32) Show SMILES CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r| Show InChI InChI=1S/C21H19FN2O/c1-24-19-7-3-6-17(19)20(21(24)25)18-11-10-15(13-23-18)9-8-14-4-2-5-16(22)12-14/h2,4-5,10-13,17,19-20H,3,6-7H2,1H3/t17-,19+,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	48	n/a	n/a	n/a	37
HOFFMANN-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 US9212171 (2015) BindingDB Entry DOI: 10.7270/Q25Q4TWH
					More data for this Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a) (Homo sapiens (Human))	BDBM196706 (US9212171, 30 | US9212171, 32) Show SMILES CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r| Show InChI InChI=1S/C21H19FN2O/c1-24-19-7-3-6-17(19)20(21(24)25)18-11-10-15(13-23-18)9-8-14-4-2-5-16(22)12-14/h2,4-5,10-13,17,19-20H,3,6-7H2,1H3/t17-,19+,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	37
HOFFMANN-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 US9212171 (2015) BindingDB Entry DOI: 10.7270/Q25Q4TWH
					More data for this Ligand-Target Pair