BDBM50134457 CHEMBL3746779

SMILES: Fc1ccc(cc1)N1CCn2nc(COc3cccnc3)cc2C1=O

InChI Key: InChIKey=NAOYZIYHRZAKBG-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 = 50134457   

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))	BDBM50134457 (CHEMBL3746779) Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3cccnc3)cc2C1=O Show InChI InChI=1S/C18H15FN4O2/c19-13-3-5-15(6-4-13)22-8-9-23-17(18(22)24)10-14(21-23)12-25-16-2-1-7-20-11-16/h1-7,10-11H,8-9,12H2	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	3.98E+3	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))	BDBM50134457 (CHEMBL3746779) Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3cccnc3)cc2C1=O Show InChI InChI=1S/C18H15FN4O2/c19-13-3-5-15(6-4-13)22-8-9-23-17(18(22)24)10-14(21-23)12-25-16-2-1-7-20-11-16/h1-7,10-11H,8-9,12H2	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	3.98E+3	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