Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 378.4 BDBM50231764

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metabotropic glutamate receptor 1 (RAT)	BDBM50231764 (2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-7,7-dimethy...) Show SMILES CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C22H23FN4O/c1-22(2)12-19-18(20(28)13-22)11-15(14-24)21(25-19)27-9-7-26(8-10-27)17-5-3-16(23)4-6-17/h3-6,11H,7-10,12-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate				J Med Chem 51: 634-47 (2008) Article DOI: 10.1021/jm0611298 BindingDB Entry DOI: 10.7270/Q2QC04B2
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