Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 236.2 BDBM50160905

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))	BDBM50160905 (3-(7-Nitro-1,2,3,4-tetrahydro-isoquinolin-3-yl)-pr...) Show SMILES OCCCC1Cc2ccc(cc2CN1)[N+]([O-])=O Show InChI InChI=1S/C12H16N2O3/c15-5-1-2-11-6-9-3-4-12(14(16)17)7-10(9)8-13-11/h3-4,7,11,13,15H,1-2,5-6,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+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 Binding affinity against Human phenylethanolamine N-methyltransferase				Bioorg Med Chem Lett 15: 1143-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.013 BindingDB Entry DOI: 10.7270/Q2X63MFG
					More data for this Ligand-Target Pair				3D Structure (docked)