Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 213.2 BDBM50061314

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits 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))	BDBM50061314 (8-Methoxy-1,2,3,4-tetrahydro-benzo[h]isoquinoline ...) Show SMILES COc1ccc2c3CNCCc3ccc2c1 Show InChI InChI=1S/C14H15NO/c1-16-12-4-5-13-11(8-12)3-2-10-6-7-15-9-14(10)13/h2-5,8,15H,6-7,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+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 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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50061314 (8-Methoxy-1,2,3,4-tetrahydro-benzo[h]isoquinoline ...) Show SMILES COc1ccc2c3CNCCc3ccc2c1 Show InChI InChI=1S/C14H15NO/c1-16-12-4-5-13-11(8-12)3-2-10-6-7-15-9-14(10)13/h2-5,8,15H,6-7,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.29E+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 [3H]clonidine binding to the rat alpha-2-adrenoceptor				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))	BDBM50061314 (8-Methoxy-1,2,3,4-tetrahydro-benzo[h]isoquinoline ...) Show SMILES COc1ccc2c3CNCCc3ccc2c1 Show InChI InChI=1S/C14H15NO/c1-16-12-4-5-13-11(8-12)3-2-10-6-7-15-9-14(10)13/h2-5,8,15H,6-7,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.83E+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