BDBM50276413 7-isothiocyanatotetrahydroisoquinoline::CHEMBL459366

SMILES: S=C=Nc1ccc2CCNCc2c1

InChI Key: InChIKey=ASMCXXJMNPAKOU-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50276413   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50276413 (7-isothiocyanatotetrahydroisoquinoline | CHEMBL459...) Show SMILES S=C=Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C10H10N2S/c13-7-12-10-2-1-8-3-4-11-6-9(8)5-10/h1-2,5,11H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Displacement of phenylethanolamine from human PNMT by competitive inhibition assay				Bioorg Med Chem Lett 19: 1071-4 (2009) Article DOI: 10.1016/j.bmcl.2009.01.014 BindingDB Entry DOI: 10.7270/Q2ZS2WCP
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50276413 (7-isothiocyanatotetrahydroisoquinoline | CHEMBL459...) Show SMILES S=C=Nc1ccc2CCNCc2c1 Show InChI InChI=1S/C10H10N2S/c13-7-12-10-2-1-8-3-4-11-6-9(8)5-10/h1-2,5,11H,3-4,6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to wild type human PNMT by liquid scintillation spectrometry in presence of [3H]AdoMet				Bioorg Med Chem Lett 19: 1071-4 (2009) Article DOI: 10.1016/j.bmcl.2009.01.014 BindingDB Entry DOI: 10.7270/Q2ZS2WCP
					More data for this Ligand-Target Pair