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 = 'BDBM174193'   

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))	BDBM174193 (US9688669, Example 49) Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1N=CC2C=CC=CC12 |r,c:26,29,31| Show InChI InChI=1S/C24H19FN4O2/c25-20-8-3-7-17(12-20)23-22(28-24(30)31-23)19-11-16(13-26-14-19)5-4-10-29-21-9-2-1-6-18(21)15-27-29/h1-3,6-9,11-15,18,21-23H,10H2,(H,28,30)/t18?,21?,22-,23-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.61E+3	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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