Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 210.2 BDBM50102896

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
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50102896 (4-Fluoromethyl-7-nitro-1,2,3,4-tetrahydro-isoquino...) Show SMILES [O-][N+](=O)c1ccc2C(CF)CNCc2c1 Show InChI InChI=1S/C10H11FN2O2/c11-4-8-6-12-5-7-3-9(13(14)15)1-2-10(7)8/h1-3,8,12H,4-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Ability to inhibit phenylethanolamine N-methyltransferase (PNMT)				J Med Chem 44: 2849-56 (2001) BindingDB Entry DOI: 10.7270/Q2N58KNT
					More data for this Ligand-Target Pair