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 = 'BDBM174133'   

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))	BDBM174133 (US9688669, Example 9) Show SMILES CC(C)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C20H19FN2O2/c1-13(2)5-3-6-14-9-16(12-22-11-14)18-19(25-20(24)23-18)15-7-4-8-17(21)10-15/h4,7-13,18-19H,5H2,1-2H3,(H,23,24)/t18-,19-/m1/s1	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	n/a
Bristol-Myers Squibb Company US Patent					Assay Description HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...				US Patent US9688669 (2017) BindingDB Entry DOI: 10.7270/Q25T3HN9
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