Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 175.2 BDBM50024830

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

Found 2 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))	BDBM50024830 (2-Amino-1,2,3,4-tetrahydro-1,4-methano-naphthalen-...) Show SMILES N[C@@H]1CC2CC1c1cccc(O)c21 |TLB:0:1:6.12:4,THB:10:12:4:1.2,7:6:4:1.2| Show InChI InChI=1S/C11H13NO/c12-9-5-6-4-8(9)7-2-1-3-10(13)11(6)7/h1-3,6,8-9,13H,4-5,12H2/t6?,8?,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro inhibition of phenylethanolamine N-methyl-transferase (PNMT) activity using radiochemical assay				J Med Chem 29: 1972-82 (1986) BindingDB Entry DOI: 10.7270/Q2K64JNM
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50024830 (2-Amino-1,2,3,4-tetrahydro-1,4-methano-naphthalen-...) Show SMILES N[C@@H]1CC2CC1c1cccc(O)c21 |TLB:0:1:6.12:4,THB:10:12:4:1.2,7:6:4:1.2| Show InChI InChI=1S/C11H13NO/c12-9-5-6-4-8(9)7-2-1-3-10(13)11(6)7/h1-3,6,8-9,13H,4-5,12H2/t6?,8?,9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+7	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 bovine phenylethylamine N-methyl-transferase (PNMT) using radiochemical assay.				J Med Chem 30: 2208-16 (1988) BindingDB Entry DOI: 10.7270/Q2CC119N
					More data for this Ligand-Target Pair