Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 376.4 BDBM50151339

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 (Homo sapiens (Human))	BDBM50151339 (3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-s...) Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCCCc1ccccc1 Show InChI InChI=1S/C20H25FN2O2S/c21-14-19-12-17-9-10-20(13-18(17)15-22-19)26(24,25)23-11-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-10,13,19,22-23H,4-5,8,11-12,14-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of [3H]-methyl-AdoMet binding to human phenylethnolamine N-methyltransferase expressed in E. coli BL21				J Med Chem 47: 4483-93 (2004) Article DOI: 10.1021/jm0400653 BindingDB Entry DOI: 10.7270/Q20G3JM8
					More data for this Ligand-Target Pair