Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 343.7 BDBM50316014

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))	BDBM50316014 (9-Amino-3-(4-chloro-phenyl)-7-methyl-3H-thieno[2,3...) Show SMILES Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C15H10ClN5OS/c1-7-19-13(17)10-11-12(23-14(10)20-7)15(22)21(6-18-11)9-4-2-8(16)3-5-9/h2-6H,1H3,(H2,17,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1				Bioorg Med Chem Lett 20: 2474-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.004 BindingDB Entry DOI: 10.7270/Q2TT4R39
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50316014 (9-Amino-3-(4-chloro-phenyl)-7-methyl-3H-thieno[2,3...) Show SMILES Cc1nc(N)c2c(n1)sc1c2ncn(-c2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C15H10ClN5OS/c1-7-19-13(17)10-11-12(23-14(10)20-7)15(22)21(6-18-11)9-4-2-8(16)3-5-9/h2-6H,1H3,(H2,17,19,20)	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	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5				Bioorg Med Chem Lett 20: 2474-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.004 BindingDB Entry DOI: 10.7270/Q2TT4R39
					More data for this Ligand-Target Pair