Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 376.3 BDBM50132793

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

Found 3 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))	BDBM50132793 (CHEMBL3634449) Show SMILES COc1cc(ccc1NC(=O)c1occc1C)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-16-8-7-13(11-17(16)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGluR1 by calcium mobilization assay				Bioorg Med Chem Lett 25: 5107-10 (2015) Article DOI: 10.1016/j.bmcl.2015.10.013 BindingDB Entry DOI: 10.7270/Q20C4XKQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50132793 (CHEMBL3634449) Show SMILES COc1cc(ccc1NC(=O)c1occc1C)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-16-8-7-13(11-17(16)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Inhibition of bovine trypsin				Bioorg Med Chem Lett 25: 5107-10 (2015) Article DOI: 10.1016/j.bmcl.2015.10.013 BindingDB Entry DOI: 10.7270/Q20C4XKQ
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 4 (Homo sapiens (Human))	BDBM50132793 (CHEMBL3634449) Show SMILES COc1cc(ccc1NC(=O)c1occc1C)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H16N2O5/c1-12-9-10-28-18(12)19(24)22-16-8-7-13(11-17(16)27-2)23-20(25)14-5-3-4-6-15(14)21(23)26/h3-11H,1-2H3,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Vanderbilt University Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGluR4 by calcium mobilization assay				Bioorg Med Chem Lett 25: 5107-10 (2015) Article DOI: 10.1016/j.bmcl.2015.10.013 BindingDB Entry DOI: 10.7270/Q20C4XKQ
					More data for this Ligand-Target Pair