BDBM50304049 1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-oxy]-6-[4-(3beta-{4-chloro-phenyl}tropane-2beta-carbonyl-oxy-methyl)-(1,2,3)triazol-1-yl]hexane::CHEMBL596001
SMILES: CN1C2CCC1[C@@H]([C@H](C2)c1ccc(Cl)cc1)C(=O)OCCCCCCn1cc(COC(=O)[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)nn1
InChI Key: InChIKey=AFKZQXYPUGXQNH-SESHTJHWSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50304049 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University Curated by ChEMBL | Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african gree... | Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50304049 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University Curated by ChEMBL | Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green... | Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50304049 (1-[3beta-(4-Chloro-phenyl)tropane-2beta-carbonyl-o...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aarhus University Curated by ChEMBL | Assay Description Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green... | Bioorg Med Chem 17: 4900-9 (2009) Article DOI: 10.1016/j.bmc.2009.06.007 BindingDB Entry DOI: 10.7270/Q24749Z2 | |||||||||||
More data for this Ligand-Target Pair |