Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 308.3 BDBM50174117

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))	BDBM50174117 (CHEMBL199008 | N-ethyl-3-(trifluoromethyl)-1,2,3,4...) Show SMILES CCNS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F Show InChI InChI=1S/C12H15F3N2O2S/c1-2-17-20(18,19)10-4-3-8-6-11(12(13,14)15)16-7-9(8)5-10/h3-5,11,16-17H,2,6-7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+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 Inhibitory activity against human PNMT				Bioorg Med Chem Lett 15: 5319-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.033 BindingDB Entry DOI: 10.7270/Q20V8CB9
					More data for this Ligand-Target Pair