Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 362.3 BDBM50028905

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))	BDBM50028905 (7,8-Dichloro-2-(6-phenyl-hexyl)-1,2,3,4-tetrahydro...) Show SMILES Clc1ccc2CCN(CCCCCCc3ccccc3)Cc2c1Cl Show InChI InChI=1S/C21H25Cl2N/c22-20-12-11-18-13-15-24(16-19(18)21(20)23)14-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-12H,1-2,4,7-8,13-16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase				J Med Chem 24: 756-9 (1981) BindingDB Entry DOI: 10.7270/Q2DZ08VH
					More data for this Ligand-Target Pair				3D Structure (docked)