BDBM50261321 CHEMBL4061450

SMILES: COc1cccc(c1)C(=O)N1CCc2oc(nc2C1)-c1ccc(F)cn1

InChI Key: InChIKey=KOBXUVVTLBQOHS-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 = 50261321   

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))	BDBM50261321 (CHEMBL4061450) Show SMILES COc1cccc(c1)C(=O)N1CCc2oc(nc2C1)-c1ccc(F)cn1 Show InChI InChI=1S/C19H16FN3O3/c1-25-14-4-2-3-12(9-14)19(24)23-8-7-17-16(11-23)22-18(26-17)15-6-5-13(20)10-21-15/h2-6,9-10H,7-8,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Curated by ChEMBL					Assay Description Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium mobilization...				Bioorg Med Chem Lett 27: 4331-4335 (2017) Article DOI: 10.1016/j.bmcl.2017.08.030 BindingDB Entry DOI: 10.7270/Q2C53P8R
					More data for this Ligand-Target Pair