BDBM50134439 CHEMBL3747662

SMILES: COc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O

InChI Key: InChIKey=MBMJEVGXSIVNEF-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50134439   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50134439 (CHEMBL3747662) Show SMILES COc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O Show InChI InChI=1S/C20H19N3O3/c1-25-17-9-7-16(8-10-17)22-11-12-23-19(20(22)24)13-15(21-23)14-26-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization				Bioorg Med Chem Lett 26: 429-34 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1NGS
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50134439 (CHEMBL3747662) Show SMILES COc1ccc(cc1)N1CCn2nc(COc3ccccc3)cc2C1=O Show InChI InChI=1S/C20H19N3O3/c1-25-17-9-7-16(8-10-17)22-11-12-23-19(20(22)24)13-15(21-23)14-26-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	115	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization				Bioorg Med Chem Lett 26: 429-34 (2016) BindingDB Entry DOI: 10.7270/Q2SJ1NGS
					More data for this Ligand-Target Pair