Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 336.3 BDBM50379869

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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 1 (Homo sapiens (Human))	BDBM50379869 (CHEMBL2011879) Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(cc1)C(C)(F)F |r| Show InChI InChI=1S/C17H18F2N2OS/c1-9-8-13(9)15(22)20-16-10(2)14(21-23-16)11-4-6-12(7-5-11)17(3,18)19/h4-7,9,13H,8H2,1-3H3,(H,20,22)/t9-,13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...				Bioorg Med Chem Lett 22: 2514-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.003 BindingDB Entry DOI: 10.7270/Q2RX9D3G
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50379869 (CHEMBL2011879) Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(cc1)C(C)(F)F |r| Show InChI InChI=1S/C17H18F2N2OS/c1-9-8-13(9)15(22)20-16-10(2)14(21-23-16)11-4-6-12(7-5-11)17(3,18)19/h4-7,9,13H,8H2,1-3H3,(H,20,22)/t9-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5				Bioorg Med Chem Lett 22: 2514-7 (2012) Article DOI: 10.1016/j.bmcl.2012.02.003 BindingDB Entry DOI: 10.7270/Q2RX9D3G
					More data for this Ligand-Target Pair