Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phenylethanolamine N-methyltransferase' and Ligand = 'BDBM50276413'   

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))	BDBM50276413 (7-isothiocyanatotetrahydroisoquinoline | CHEMBL459...) Show SMILES S=C=Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C10H10N2S/c13-7-12-10-2-1-8-3-4-11-6-9(8)5-10/h1-2,5,11H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of phenylethanolamine from human PNMT by competitive inhibition assay				Bioorg Med Chem Lett 19: 1071-4 (2009) Article DOI: 10.1016/j.bmcl.2009.01.014 BindingDB Entry DOI: 10.7270/Q2ZS2WCP
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50276413 (7-isothiocyanatotetrahydroisoquinoline | CHEMBL459...) Show SMILES S=C=Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C10H10N2S/c13-7-12-10-2-1-8-3-4-11-6-9(8)5-10/h1-2,5,11H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to wild type human PNMT by liquid scintillation spectrometry in presence of [3H]AdoMet				Bioorg Med Chem Lett 19: 1071-4 (2009) Article DOI: 10.1016/j.bmcl.2009.01.014 BindingDB Entry DOI: 10.7270/Q2ZS2WCP
					More data for this Ligand-Target Pair