null
SMILES: NS(=O)(=O)c1ccc2CC(CF)NCc2c1
InChI Key: InChIKey=JRESBJUYAQJNMA-UHFFFAOYSA-N
PDB links: 2 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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)) | BDBM13022 (3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 150 | 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 human phenylethanolamine N-Methyltransferase | J Med Chem 48: 134-40 (2005) Article DOI: 10.1021/jm049368n BindingDB Entry DOI: 10.7270/Q2513XQ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phenylethanolamine N-methyltransferase (Homo sapiens (Human)) | BDBM13022 (3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 150 | 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)) | BDBM13022 (3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 150 | -9.68 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Kansas | Assay Description Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a... | J Med Chem 49: 5424-33 (2006) Article DOI: 10.1021/jm060466d BindingDB Entry DOI: 10.7270/Q2DB802Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phenylethanolamine N-methyltransferase (Homo sapiens (Human)) | BDBM13022 (3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 150 | 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 | |||||||||||||
Phenylethanolamine N-methyltransferase (Bos taurus (bovine)) | BDBM13022 (3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 660 | 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)) | BDBM13022 (3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 660 | 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 inhibition of PNMT (Phenylethanolamine N-Methyltransferase). | J Med Chem 42: 4351-61 (1999) BindingDB Entry DOI: 10.7270/Q2X0667W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phenylethanolamine N-methyltransferase (Bos taurus (bovine)) | BDBM13022 (3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Ability to inhibit phenylethanolamine N-methyltransferase (PNMT) | J Med Chem 44: 2849-56 (2001) BindingDB Entry DOI: 10.7270/Q2N58KNT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2A adrenergic receptor [16-465] (Rattus norvegicus (rat)) | BDBM13022 (3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.80E+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 |