Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM107258'   

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
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM107258 (US8598345, 202 | US8598345, Table 1-44/2-6) Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C17H16N6O/c1-12-4-3-5-16(21-12)22-17(24)15-8-13(6-7-20-15)23(2)14-9-18-11-19-10-14/h3-11H,1-2H3,(H,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM107258 (US8598345, 202 | US8598345, Table 1-44/2-6) Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(C)n1 Show InChI InChI=1S/C17H16N6O/c1-12-4-3-5-16(21-12)22-17(24)15-8-13(6-7-20-15)23(2)14-9-18-11-19-10-14/h3-11H,1-2H3,(H,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair