Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 363.3 BDBM50542316

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 2 (Homo sapiens (Human))	BDBM50542316 (CHEMBL4635528) Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3=O)cc2n1 Show InChI InChI=1S/C21H18FN3O2/c22-15-6-4-14(5-7-15)17-11-19(21(23)27)24-18-10-13(3-8-16(17)18)12-25-9-1-2-20(25)26/h3-8,10-11H,1-2,9,12H2,(H2,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR2 by FLIPR assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127066 BindingDB Entry DOI: 10.7270/Q2G44TTJ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 3 (Homo sapiens (Human))	BDBM50542316 (CHEMBL4635528) Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC3=O)cc2n1 Show InChI InChI=1S/C21H18FN3O2/c22-15-6-4-14(5-7-15)17-11-19(21(23)27)24-18-10-13(3-8-16(17)18)12-25-9-1-2-20(25)26/h3-8,10-11H,1-2,9,12H2,(H2,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of human mGluR3 by FLIPR assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127066 BindingDB Entry DOI: 10.7270/Q2G44TTJ
					More data for this Ligand-Target Pair