BDBM50134455 CHEMBL3747522

SMILES: Fc1ccc(cc1)N1CCn2nc(COc3ccccn3)cc2C1=O

InChI Key: InChIKey=ZCRSCDRPLPELFZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50134455   

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))	BDBM50134455 (CHEMBL3747522) Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccn3)cc2C1=O Show InChI InChI=1S/C18H15FN4O2/c19-13-4-6-15(7-5-13)22-9-10-23-16(18(22)24)11-14(21-23)12-25-17-3-1-2-8-20-17/h1-8,11H,9-10,12H2	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	490	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 3 (Homo sapiens (Human))	BDBM50134455 (CHEMBL3747522) Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccn3)cc2C1=O Show InChI InChI=1S/C18H15FN4O2/c19-13-4-6-15(7-5-13)22-9-10-23-16(18(22)24)11-14(21-23)12-25-17-3-1-2-8-20-17/h1-8,11H,9-10,12H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Antagonist activity at human mGlu3 expressed in HEK293 cells assessed as inhibition of 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))	BDBM50134455 (CHEMBL3747522) Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccn3)cc2C1=O Show InChI InChI=1S/C18H15FN4O2/c19-13-4-6-15(7-5-13)22-9-10-23-16(18(22)24)11-14(21-23)12-25-17-3-1-2-8-20-17/h1-8,11H,9-10,12H2	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	490	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