BDBM50163107 (R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid propylamide::CHEMBL179298

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

InChI Key: InChIKey=SSUCQFQOXPPRKP-GFCCVEGCSA-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 = 50163107   

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))	BDBM50163107 ((R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline...) Show SMILES CCCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1 Show InChI InChI=1S/C13H19FN2O2S/c1-2-5-16-19(17,18)13-4-3-10-6-12(8-14)15-9-11(10)7-13/h3-4,7,12,15-16H,2,5-6,8-9H2,1H3/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	790	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 (Rattus norvegicus (rat))	BDBM50163107 ((R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline...) Show SMILES CCCNS(=O)(=O)c1ccc2C[C@H](CF)NCc2c1 Show InChI InChI=1S/C13H19FN2O2S/c1-2-5-16-19(17,18)13-4-3-10-6-12(8-14)15-9-11(10)7-13/h3-4,7,12,15-16H,2,5-6,8-9H2,1H3/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70E+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