Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phenylethanolamine N-methyltransferase' and Ligand = 'BDBM50061317'   

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))	BDBM50061317 (CHEMBL28115 | N-(1,2,3,4-Tetrahydro-isoquinolin-7-...) Show SMILES CS(=O)(=O)NCc1ccc2CCNCc2c1 Show InChI InChI=1S/C11H16N2O2S/c1-16(14,15)13-7-9-2-3-10-4-5-12-8-11(10)6-9/h2-3,6,12-13H,4-5,7-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.08E+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 bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)				Bioorg Med Chem Lett 9: 481-6 (1999) BindingDB Entry DOI: 10.7270/Q26Q20F9
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50061317 (CHEMBL28115 | N-(1,2,3,4-Tetrahydro-isoquinolin-7-...) Show SMILES CS(=O)(=O)NCc1ccc2CCNCc2c1 Show InChI InChI=1S/C11H16N2O2S/c1-16(14,15)13-7-9-2-3-10-4-5-12-8-11(10)6-9/h2-3,6,12-13H,4-5,7-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30E+5	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 Phenylethanolamine N-methyltransferase (PNMT)				J Med Chem 40: 3997-4005 (1998) Article DOI: 10.1021/jm960235e BindingDB Entry DOI: 10.7270/Q2B27TDC
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50061317 (CHEMBL28115 | N-(1,2,3,4-Tetrahydro-isoquinolin-7-...) Show SMILES CS(=O)(=O)NCc1ccc2CCNCc2c1 Show InChI InChI=1S/C11H16N2O2S/c1-16(14,15)13-7-9-2-3-10-4-5-12-8-11(10)6-9/h2-3,6,12-13H,4-5,7-8H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)				J Med Chem 42: 118-34 (1999) Article DOI: 10.1021/jm980429p BindingDB Entry DOI: 10.7270/Q2K35VBN
					More data for this Ligand-Target Pair