Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Phenylethanolamine N-methyltransferase' and Ligand = 'BDBM50077538'   

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))	BDBM50077538 ((R)-3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoli...) Show SMILES C[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O Show InChI InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3/t7-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	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 inhibition of PNMT (Phenylethanolamine N-Methyltransferase).				J Med Chem 42: 4351-61 (1999) BindingDB Entry DOI: 10.7270/Q2X0667W
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50077538 ((R)-3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoli...) Show SMILES C[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O Show InChI InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3/t7-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	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 bovine adrenal Phenylethanolamine N-Methyltransferase				J Med Chem 42: 1982-90 (1999) Article DOI: 10.1021/jm9807252 BindingDB Entry DOI: 10.7270/Q2959GR6
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50077538 ((R)-3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoli...) Show SMILES C[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O Show InChI InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Inhibition of human PNMT by radiochemical assay				Bioorg Med Chem 16: 542-59 (2008) Article DOI: 10.1016/j.bmc.2007.08.066 BindingDB Entry DOI: 10.7270/Q24B312R
					More data for this Ligand-Target Pair				3D Structure (docked)
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50077538 ((R)-3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoli...) Show SMILES C[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O Show InChI InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3/t7-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.77E+3	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