Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50028167   

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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13017 (1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | CHE...) Show SMILES NS(=O)(=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	120	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				3D Structure (crystal)