BDBM50337494 5-(phenylethynyl)isoindoline-1,3-dione::CHEMBL1682790

SMILES: O=C1NC(=O)c2cc(ccc12)C#Cc1ccccc1

InChI Key: InChIKey=RTUKPSOCDCOAMX-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 = 50337494   

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))	BDBM50337494 (5-(phenylethynyl)isoindoline-1,3-dione | CHEMBL168...) Show SMILES O=C1NC(=O)c2cc(ccc12)C#Cc1ccccc1 Show InChI InChI=1S/C16H9NO2/c18-15-13-9-8-12(10-14(13)16(19)17-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	5.90	n/a	n/a	n/a	n/a
Vanderbilt Medical Center Curated by ChEMBL					Assay Description Positive allosteric modulation of mGlu5 receptor assessed as calcium mobilization				Bioorg Med Chem Lett 21: 1350-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.044 BindingDB Entry DOI: 10.7270/Q24B31MX
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50337494 (5-(phenylethynyl)isoindoline-1,3-dione | CHEMBL168...) Show SMILES O=C1NC(=O)c2cc(ccc12)C#Cc1ccccc1 Show InChI InChI=1S/C16H9NO2/c18-15-13-9-8-12(10-14(13)16(19)17-15)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobiliza...				Bioorg Med Chem Lett 21: 1402-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.027 BindingDB Entry DOI: 10.7270/Q2Q81DC5
					More data for this Ligand-Target Pair