Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.4 BDBM50364725

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 (RAT)	BDBM50364725 (CHEMBL1951664) Show SMILES CCc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O Show InChI InChI=1S/C20H19N3OS/c1-4-13-5-7-14(8-6-13)23-12-10-15-17-16(22(2)3)9-11-21-19(17)25-18(15)20(23)24/h5-12H,4H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat metabotropic glutamate receptor 1				Bioorg Med Chem Lett 22: 1575-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.131 BindingDB Entry DOI: 10.7270/Q2F19063
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (Homo sapiens (Human))	BDBM50364725 (CHEMBL1951664) Show SMILES CCc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O Show InChI InChI=1S/C20H19N3OS/c1-4-13-5-7-14(8-6-13)23-12-10-15-17-16(22(2)3)9-11-21-19(17)25-18(15)20(23)24/h5-12H,4H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human metabotropic glutamate receptor 1				Bioorg Med Chem Lett 22: 1575-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.131 BindingDB Entry DOI: 10.7270/Q2F19063
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50364725 (CHEMBL1951664) Show SMILES CCc1ccc(cc1)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O Show InChI InChI=1S/C20H19N3OS/c1-4-13-5-7-14(8-6-13)23-12-10-15-17-16(22(2)3)9-11-21-19(17)25-18(15)20(23)24/h5-12H,4H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	515	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human metabotropic glutamate receptor 5				Bioorg Med Chem Lett 22: 1575-8 (2012) Article DOI: 10.1016/j.bmcl.2011.12.131 BindingDB Entry DOI: 10.7270/Q2F19063
					More data for this Ligand-Target Pair