BDBM107231 US8598345, Table 1-17

SMILES: O=C(Nc1ccccn1)c1cc(Oc2cccnc2)ccn1

InChI Key: InChIKey=ZBXLGNOACNOXLX-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 107231   

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 (Rattus norvegicus (Rat))	BDBM107231 (US8598345, Table 1-17) Show SMILES O=C(Nc1ccccn1)c1cc(Oc2cccnc2)ccn1 Show InChI InChI=1S/C16H12N4O2/c21-16(20-15-5-1-2-8-19-15)14-10-12(6-9-18-14)22-13-4-3-7-17-11-13/h1-11H,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University US Patent					Assay Description mGluR5 activity was determined in a cell-based assay.				US Patent US8598345 (2013) BindingDB Entry DOI: 10.7270/Q2RR1WX8
					More data for this Ligand-Target Pair