BDBM14060 7-Iodo-1,2,3,4-tetrahydroisoquinoline::CHEMBL26828::tetrahydroisoquinoline (THIQ) deriv. 2
SMILES: Ic1ccc2CCNCc2c1
InChI Key: InChIKey=FFCFXJXBXUOFIU-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 |
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Phenylethanolamine N-methyltransferase (Homo sapiens (Human)) | BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | DrugBank MMDB PDB Article PubMed | 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Curated by ChEMBL | Assay Description Binding affinity to human wild type his-tagged PNMT | J Med Chem 48: 7243-52 (2005) Article DOI: 10.1021/jm050568o BindingDB Entry DOI: 10.7270/Q2QC049M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Phenylethanolamine N-methyltransferase (Homo sapiens (Human)) | BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | DrugBank MMDB PDB Article PubMed | 93 | 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 activity against human PNMT | Bioorg Med Chem Lett 15: 5319-23 (2005) Article DOI: 10.1016/j.bmcl.2005.08.033 BindingDB Entry DOI: 10.7270/Q20V8CB9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Alpha-2A adrenergic receptor (Rattus norvegicus (rat)) | BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | Article PubMed | 220 | -9.08 | n/a | n/a | n/a | n/a | n/a | 7.7 | 25 |
University of Queensland | Assay Description The binding affinity of compound was evaluated using [3H] Clonidine as ligand in competition binding experiments. Nonspecific binding was determined ... | J Med Chem 47: 37-44 (2004) Article DOI: 10.1021/jm0205752 BindingDB Entry DOI: 10.7270/Q21R6NRH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phenylethanolamine N-methyltransferase (Bos taurus (bovine)) | BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 370 | -9.12 | n/a | n/a | n/a | n/a | n/a | 8.0 | 37 |
University of Queensland | 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 47: 37-44 (2004) Article DOI: 10.1021/jm0205752 BindingDB Entry DOI: 10.7270/Q21R6NRH | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Phenylethanolamine N-methyltransferase (Bos taurus (bovine)) | BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | 370 | 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 inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT) | J Med Chem 42: 118-34 (1999) Article DOI: 10.1021/jm980429p BindingDB Entry DOI: 10.7270/Q2K35VBN | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | PubMed | 1.28E+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 Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor | Bioorg Med Chem Lett 9: 481-6 (1999) BindingDB Entry DOI: 10.7270/Q26Q20F9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phenylethanolamine N-methyltransferase (Bos taurus (bovine)) | BDBM14060 (7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents | PDB PubMed | 1.61E+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 activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT) | Bioorg Med Chem Lett 9: 481-6 (1999) BindingDB Entry DOI: 10.7270/Q26Q20F9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |