Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 206.2 BDBM50080523

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))	BDBM50080523 (7-Azido-3-fluoromethyl-1,2,3,4-tetrahydro-isoquino...) Show SMILES FCC1Cc2ccc(cc2CN1)N=[N+]=[N-] Show InChI InChI=1S/C10H11FN4/c11-5-10-3-7-1-2-9(14-15-12)4-8(7)6-13-10/h1-2,4,10,13H,3,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70E+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 Affinity for bovine Phenylethanolamine N-Methyltransferase (PNMT)				J Med Chem 42: 3588-601 (1999) Article DOI: 10.1021/jm990045e BindingDB Entry DOI: 10.7270/Q2NV9HFK
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50080523 (7-Azido-3-fluoromethyl-1,2,3,4-tetrahydro-isoquino...) Show SMILES FCC1Cc2ccc(cc2CN1)N=[N+]=[N-] Show InChI InChI=1S/C10H11FN4/c11-5-10-3-7-1-2-9(14-15-12)4-8(7)6-13-10/h1-2,4,10,13H,3,5-6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.70E+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 constant against bovine phenylethanolamine N-methyl-transferase				Bioorg Med Chem Lett 11: 1579-82 (2001) BindingDB Entry DOI: 10.7270/Q2GF0V17
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50080523 (7-Azido-3-fluoromethyl-1,2,3,4-tetrahydro-isoquino...) Show SMILES FCC1Cc2ccc(cc2CN1)N=[N+]=[N-] Show InChI InChI=1S/C10H11FN4/c11-5-10-3-7-1-2-9(14-15-12)4-8(7)6-13-10/h1-2,4,10,13H,3,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.50E+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 constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli				Bioorg Med Chem Lett 11: 1579-82 (2001) BindingDB Entry DOI: 10.7270/Q2GF0V17
					More data for this Ligand-Target Pair				3D Structure (docked)