BDBM50029099 5,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline::CHEMBL149535
SMILES: Clc1cc(Cl)c2CCNCc2c1Cl
InChI Key: InChIKey=CGACUXXOEAXGQS-UHFFFAOYSA-N
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)) | BDBM50029099 (5,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Dissociation constant(Ki) of compound was determined to measure PNMT-inhibitory potency | J Med Chem 23: 506-11 (1980) BindingDB Entry DOI: 10.7270/Q2F47N5S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Phenylethanolamine N-methyltransferase (Homo sapiens (Human)) | BDBM50029099 (5,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Dissociation constant(Ki) of compound was determined to measure Phenylethanolamine N-methyltransferase inhibitory potency | J Med Chem 23: 506-11 (1980) BindingDB Entry DOI: 10.7270/Q2F47N5S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |