Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 241.2 BDBM50024818

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))	BDBM50024818 (2-Trifluoromethyl-6,7,8,9-tetrahydro-5H-5,8-methan...) Show SMILES N[C@H]1C2CCC1c1ccc(cc1C2)C(F)(F)F |TLB:7:6:1:4.3,THB:0:1:11.6.12:4.3,10:11:1:4.3| Show InChI InChI=1S/C13H14F3N/c14-13(15,16)9-2-4-10-8(6-9)5-7-1-3-11(10)12(7)17/h2,4,6-7,11-12H,1,3,5,17H2/t7?,11?,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+6	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 Phenylethylamine N-Methyltransferase (PNMT) using radiochemical assay				J Med Chem 30: 2191-208 (1988) BindingDB Entry DOI: 10.7270/Q2H41S10
					More data for this Ligand-Target Pair