BDBM50059486 (2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::(2R,3S)-methyl 3-(bis(4-fluorophenyl)methoxy)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate::(2R,3S,8S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL310650
SMILES: COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C
InChI Key: InChIKey=XSYGBVSQKPLETJ-NSKBAKJYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat brain | J Med Chem 49: 6391-9 (2006) Article DOI: 10.1021/jm060762q BindingDB Entry DOI: 10.7270/Q2WD41D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description In vitro dopamine transporter binding affinity using [3H]WIN-35428 as radioligand was determined | J Med Chem 46: 2908-16 (2003) Article DOI: 10.1021/jm0300375 BindingDB Entry DOI: 10.7270/Q2BG2PQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (RAT) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]pirenzepine from M1 receptor in Sprague-Dawley rat brain | J Med Chem 49: 6391-9 (2006) Article DOI: 10.1021/jm060762q BindingDB Entry DOI: 10.7270/Q2WD41D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (RAT) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Binding affinity towards Muscarinic acetylcholine receptor M1 using [3H]pirenzepine as radioligand was determined | J Med Chem 46: 2908-16 (2003) Article DOI: 10.1021/jm0300375 BindingDB Entry DOI: 10.7270/Q2BG2PQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Norepinephrine Monoamine transporters (Rattus norvegicus) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 269 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Binding affinity towards norepinephrine transporter using [3H]nisoxetine as radioligand was determined | J Med Chem 46: 2908-16 (2003) Article DOI: 10.1021/jm0300375 BindingDB Entry DOI: 10.7270/Q2BG2PQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Norepinephrine Monoamine transporters (Rattus norvegicus) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 269 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat brain | J Med Chem 49: 6391-9 (2006) Article DOI: 10.1021/jm060762q BindingDB Entry DOI: 10.7270/Q2WD41D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Binding affinity towards serotonin transporter using [3H]citalopram as radioligand was determined | J Med Chem 46: 2908-16 (2003) Article DOI: 10.1021/jm0300375 BindingDB Entry DOI: 10.7270/Q2BG2PQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain | J Med Chem 49: 6391-9 (2006) Article DOI: 10.1021/jm060762q BindingDB Entry DOI: 10.7270/Q2WD41D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc. Curated by ChEMBL | Assay Description Displacement of [3H]WIN-35428 from monkey dopamine transporter | J Med Chem 37: 2001-10 (1994) BindingDB Entry DOI: 10.7270/Q2M90992 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description In vitro potency for inhibiting [3H]- dopamine uptake was determined | J Med Chem 46: 2908-16 (2003) Article DOI: 10.1021/jm0300375 BindingDB Entry DOI: 10.7270/Q2BG2PQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Inhibition of [3H]dopamine uptake at DAT in Sprague-Dawley rat brain | J Med Chem 49: 6391-9 (2006) Article DOI: 10.1021/jm060762q BindingDB Entry DOI: 10.7270/Q2WD41D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc. Curated by ChEMBL | Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen. | J Med Chem 40: 2661-73 (1997) Article DOI: 10.1021/jm9703045 BindingDB Entry DOI: 10.7270/Q23T9HXJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc. Curated by ChEMBL | Assay Description Binding affinity of [3H]citalopram for serotonin transporter in monkey | J Med Chem 37: 2001-10 (1994) BindingDB Entry DOI: 10.7270/Q2M90992 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50059486 ((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc. Curated by ChEMBL | Assay Description Inhibition of [3H]WIN-35428 binding to the dopamine transporter (DAT) in monkey caudate-putamen. | J Med Chem 40: 2661-73 (1997) Article DOI: 10.1021/jm9703045 BindingDB Entry DOI: 10.7270/Q23T9HXJ | |||||||||||
More data for this Ligand-Target Pair |