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SMILES: FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)N1CCSCC1

InChI Key: InChIKey=SBUKSNPHYWXCDG-CYBMUJFWSA-N

PDB links: 2 PDB IDs match this monomer.

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 = 50163110   

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))	BDBM50163110 ((3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONY...) Show SMILES FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)N1CCSCC1 Show InChI InChI=1S/C14H19FN2O2S2/c15-9-13-7-11-1-2-14(8-12(11)10-16-13)21(18,19)17-3-5-20-6-4-17/h1-2,8,13,16H,3-7,9-10H2/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	610	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 (crystal)
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat))	BDBM50163110 ((3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-4-YLSULFONY...) Show SMILES FC[C@H]1Cc2ccc(cc2CN1)S(=O)(=O)N1CCSCC1 Show InChI InChI=1S/C14H19FN2O2S2/c15-9-13-7-11-1-2-14(8-12(11)10-16-13)21(18,19)17-3-5-20-6-4-17/h1-2,8,13,16H,3-7,9-10H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.00E+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