Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Ligand = 'BDBM128279'   

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 (Rattus norvegicus (Rat))	BDBM128279 (US8796295, Table 2: Compound: 3) Show SMILES Fc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1 Show InChI InChI=1S/C16H10ClFN4O2/c17-11-4-10(16(23)22-15-3-1-2-14(18)21-15)5-12(6-11)24-13-7-19-9-20-8-13/h1-9H,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The utility of the compounds in accordance with the present invention as negative allosteric modulators of metabotropic glutamate receptor activity, ...				US Patent US8796295 (2014) BindingDB Entry DOI: 10.7270/Q2542M8B
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM128279 (US8796295, Table 2: Compound: 3) Show SMILES Fc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1 Show InChI InChI=1S/C16H10ClFN4O2/c17-11-4-10(16(23)22-15-3-1-2-14(18)21-15)5-12(6-11)24-13-7-19-9-20-8-13/h1-9H,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description The utility of the compounds in accordance with the present invention as negative allosteric modulators of metabotropic glutamate receptor activity, ...				US Patent US8796295 (2014) BindingDB Entry DOI: 10.7270/Q2542M8B
					More data for this Ligand-Target Pair