BDBM50292907 (+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl)methanone::(+/-)-trans-2-Hydroxy-3-(4-(4-fluorobenzoyl)piperidino)tetralin::(-)-trans(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl)methanone::CHEMBL473129
SMILES: O[C@@H]1Cc2ccccc2C[C@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1
InChI Key: InChIKey=NIXIHSCMKWWEOU-NHCUHLMSSA-N
Data: 8 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vesicular acetylcholine transporter (Torpedo californica) | BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL | Assay Description Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles | Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular acetylcholine transporter (Homo sapiens (Human)) | BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 cell membrane after 20 hrs | J Med Chem 56: 6216-33 (2013) Article DOI: 10.1021/jm400664x BindingDB Entry DOI: 10.7270/Q2930VMV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular acetylcholine transporter (Rattus norvegicus) | BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL | Assay Description Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit... | Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular acetylcholine transporter (Homo sapiens (Human)) | BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 108 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]vesamicol from human vesicular acetylcholine transporter expressed in rat PC12 cells by liquid scintillation spectrometry | J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 186 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting | J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 186 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain membrane by liquid scintillation counting | J Med Chem 52: 1358-69 (2009) Article DOI: 10.1021/jm8012344 BindingDB Entry DOI: 10.7270/Q26W9B3B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine Curated by ChEMBL | Assay Description Displacement of (+)- [3H]pentazocine from sigma 1 receptor expressed in guinea pig brain membrane homogenates by scintillation counting analysis | J Med Chem 56: 6216-33 (2013) Article DOI: 10.1021/jm400664x BindingDB Entry DOI: 10.7270/Q2930VMV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50292907 ((+)-trans-(4-fluorophenyl)(1-(3-hydroxy-1,2,3,4-te...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 215 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Radiopharmaceutical Cancer Research Curated by ChEMBL | Assay Description Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation countin... | Eur J Med Chem 100: 50-67 (2015) Article DOI: 10.1016/j.ejmech.2015.05.033 BindingDB Entry DOI: 10.7270/Q28C9XZ1 | |||||||||||
More data for this Ligand-Target Pair |