Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 362.4 BDBM50177066

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))	BDBM50177066 (3-(4-Cyclopropyl-phenyl)-9-dimethylamino-3H-pyrido...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CC4)c3=O)c12 Show InChI InChI=1S/C20H18N4OS/c1-23(2)15-9-10-21-19-16(15)17-18(26-19)20(25)24(11-22-17)14-7-5-13(6-8-14)12-3-4-12/h5-12H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50177066 (3-(4-Cyclopropyl-phenyl)-9-dimethylamino-3H-pyrido...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CC4)c3=O)c12 Show InChI InChI=1S/C20H18N4OS/c1-23(2)15-9-10-21-19-16(15)17-18(26-19)20(25)24(11-22-17)14-7-5-13(6-8-14)12-3-4-12/h5-12H,3-4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Biocampus Curated by ChEMBL					Assay Description Inhibition of rat mGluR1				Eur J Med Chem 43: 1025-34 (2008) Article DOI: 10.1016/j.ejmech.2007.06.024 BindingDB Entry DOI: 10.7270/Q2V987VM
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50177066 (3-(4-Cyclopropyl-phenyl)-9-dimethylamino-3H-pyrido...) Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CC4)c3=O)c12 Show InChI InChI=1S/C20H18N4OS/c1-23(2)15-9-10-21-19-16(15)17-18(26-19)20(25)24(11-22-17)14-7-5-13(6-8-14)12-3-4-12/h5-12H,3-4H2,1-2H3	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	4.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human mGluR5 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization				J Med Chem 48: 7374-88 (2005) Article DOI: 10.1021/jm0504407 BindingDB Entry DOI: 10.7270/Q27P8XX0
					More data for this Ligand-Target Pair