BDBM50163105 (R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid ethylamide::CHEMBL175094

SMILES: CCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1

InChI Key: InChIKey=UKWVXNMBQJTJOS-LLVKDONJSA-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 = 50163105   

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))	BDBM50163105 ((R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline...) Show SMILES CCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1 Show InChI InChI=1S/C12H17FN2O2S/c1-2-15-18(16,17)12-4-3-9-5-11(7-13)14-8-10(9)6-12/h3-4,6,11,14-15H,2,5,7-8H2,1H3/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	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 binding affinity against recombinant human Phenylethanolamine N-methyltransferase expressed in E. coli using [methyl-3H]-AdoMet				J Med Chem 48: 1806-12 (2005) Article DOI: 10.1021/jm049594x BindingDB Entry DOI: 10.7270/Q2TX3DW4
					More data for this Ligand-Target Pair				3D Structure (docked)
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50163105 ((R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline...) Show SMILES CCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1 Show InChI InChI=1S/C12H17FN2O2S/c1-2-15-18(16,17)12-4-3-9-5-11(7-13)14-8-10(9)6-12/h3-4,6,11,14-15H,2,5,7-8H2,1H3/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+5	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 binding affinity against rat Alpha-2 adrenergic receptor using [3H]-clonidine				J Med Chem 48: 1806-12 (2005) Article DOI: 10.1021/jm049594x BindingDB Entry DOI: 10.7270/Q2TX3DW4
					More data for this Ligand-Target Pair