Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 314.6 BDBM13021

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

Found 4 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))	BDBM13021 (7-(trichloromethane)sulfonyl-1,2,3,4-tetrahydroiso...) Show SMILES ClC(Cl)(Cl)S(=O)(=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C10H10Cl3NO2S/c11-10(12,13)17(15,16)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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 In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)				J Med Chem 42: 118-34 (1999) Article DOI: 10.1021/jm980429p BindingDB Entry DOI: 10.7270/Q2K35VBN
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM13021 (7-(trichloromethane)sulfonyl-1,2,3,4-tetrahydroiso...) Show SMILES ClC(Cl)(Cl)S(=O)(=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C10H10Cl3NO2S/c11-10(12,13)17(15,16)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.74E+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
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM13021 (7-(trichloromethane)sulfonyl-1,2,3,4-tetrahydroiso...) Show SMILES ClC(Cl)(Cl)S(=O)(=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C10H10Cl3NO2S/c11-10(12,13)17(15,16)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30E+3	-30.9	n/a	n/a	n/a	n/a	n/a	8.0	37
University of Kansas					Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...				J Med Chem 49: 5424-33 (2006) Article DOI: 10.1021/jm060466d BindingDB Entry DOI: 10.7270/Q2DB802Q
					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))	BDBM13021 (7-(trichloromethane)sulfonyl-1,2,3,4-tetrahydroiso...) Show SMILES ClC(Cl)(Cl)S(=O)(=O)c1ccc2CCNCc2c1 Show InChI InChI=1S/C10H10Cl3NO2S/c11-10(12,13)17(15,16)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.14E+4	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