BDBM50080518 3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid benzylamide::CHEMBL36909

SMILES: FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCc1ccccc1

InChI Key: InChIKey=BYMUUJOFYVSRBW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50080518   

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 (Bos taurus (bovine))	BDBM50080518 (3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-s...) Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C17H19FN2O2S/c18-10-16-8-14-6-7-17(9-15(14)12-19-16)23(21,22)20-11-13-4-2-1-3-5-13/h1-7,9,16,19-20H,8,10-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.50E+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 Affinity for bovine Phenylethanolamine N-Methyltransferase				J Med Chem 42: 3588-601 (1999) Article DOI: 10.1021/jm990045e BindingDB Entry DOI: 10.7270/Q2NV9HFK
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Bos taurus (bovine))	BDBM50080518 (3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-s...) Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C17H19FN2O2S/c18-10-16-8-14-6-7-17(9-15(14)12-19-16)23(21,22)20-11-13-4-2-1-3-5-13/h1-7,9,16,19-20H,8,10-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.50E+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 constant against bovine phenylethanolamine N-methyl-transferase				Bioorg Med Chem Lett 11: 1579-82 (2001) BindingDB Entry DOI: 10.7270/Q2GF0V17
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50080518 (3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-s...) Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C17H19FN2O2S/c18-10-16-8-14-6-7-17(9-15(14)12-19-16)23(21,22)20-11-13-4-2-1-3-5-13/h1-7,9,16,19-20H,8,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60E+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]-methyl-AdoMet binding to human phenylethnolamine N-methyltransferase expressed in E. coli BL21				J Med Chem 47: 4483-93 (2004) Article DOI: 10.1021/jm0400653 BindingDB Entry DOI: 10.7270/Q20G3JM8
					More data for this Ligand-Target Pair
Phenylethanolamine N-methyltransferase (Homo sapiens (Human))	BDBM50080518 (3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline-7-s...) Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCc1ccccc1 Show InChI InChI=1S/C17H19FN2O2S/c18-10-16-8-14-6-7-17(9-15(14)12-19-16)23(21,22)20-11-13-4-2-1-3-5-13/h1-7,9,16,19-20H,8,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.20E+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 Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli				Bioorg Med Chem Lett 11: 1579-82 (2001) BindingDB Entry DOI: 10.7270/Q2GF0V17
					More data for this Ligand-Target Pair