BDBM50261133 CHEMBL497549::N-Methyl-2-piperidin-1-yl-N-{2-[3-(trifluoromethoxy)phenyl]-ethyl}ethanamine
SMILES: CN(CCN1CCCCC1)CCc1cccc(OC(F)(F)F)c1
InChI Key: InChIKey=ZHLYFJIHCTWRCA-UHFFFAOYSA-N
Data: 5 KI
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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Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50261133 (CHEMBL497549 | N-Methyl-2-piperidin-1-yl-N-{2-[3-(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Displacement of [3H](+)pentazocine from opioid sigma1 receptor in rat brain homogenate | J Med Chem 51: 3322-5 (2008) Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50261133 (CHEMBL497549 | N-Methyl-2-piperidin-1-yl-N-{2-[3-(...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Binding affinity at NET (unknown origin) | J Med Chem 51: 3322-5 (2008) Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50261133 (CHEMBL497549 | N-Methyl-2-piperidin-1-yl-N-{2-[3-(...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Binding affinity at SERT (unknown origin) | J Med Chem 51: 3322-5 (2008) Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50261133 (CHEMBL497549 | N-Methyl-2-piperidin-1-yl-N-{2-[3-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Binding affinity at dopamine D2 receptor (unknown origin) | J Med Chem 51: 3322-5 (2008) Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50261133 (CHEMBL497549 | N-Methyl-2-piperidin-1-yl-N-{2-[3-(...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Binding affinity at DAT (unknown origin) | J Med Chem 51: 3322-5 (2008) Article DOI: 10.1021/jm7013666 BindingDB Entry DOI: 10.7270/Q24749N1 | |||||||||||
More data for this Ligand-Target Pair |