BDBM50101075 (2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-8-methyl-8-azonia-bicyclo[3.2.1]octane::(2S,3S)-3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::(2S,3S)-methyl 3-(3,4-dichlorophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate::3-(3,4-Dichloro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL42553::RTI-111
SMILES: COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C
InChI Key: InChIKey=AMIHUYQKNJHXPT-XNSJETLRSA-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 (Homo sapiens (Human)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.200 | 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]CFT from human DAT expressed in COS7 cells | J Med Chem 48: 7513-6 (2005) Article DOI: 10.1021/jm050431y BindingDB Entry DOI: 10.7270/Q27M07HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by PDSP Ki Database | J Pharmacol Exp Ther 289: 1229-36 (1999) BindingDB Entry DOI: 10.7270/Q2TX3CWQ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.46 | 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 dopamine transporter (Homo sapiens (Human)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.30 | 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]dopamine from human DAT expressed in COS7 cells | J Med Chem 48: 7513-6 (2005) Article DOI: 10.1021/jm050431y BindingDB Entry DOI: 10.7270/Q27M07HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by PDSP Ki Database | J Pharmacol Exp Ther 289: 1229-36 (1999) BindingDB Entry DOI: 10.7270/Q2TX3CWQ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 5 | 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]dopamine from human NET expressed in COS7 cells | J Med Chem 48: 7513-6 (2005) Article DOI: 10.1021/jm050431y BindingDB Entry DOI: 10.7270/Q27M07HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.30 | 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 | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 12 | 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]5HT from human SERT expressed in COS7 cells | J Med Chem 48: 7513-6 (2005) Article DOI: 10.1021/jm050431y BindingDB Entry DOI: 10.7270/Q27M07HM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Norepinephrine Monoamine transporters (Rattus norvegicus) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 15.8 | 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 transporter (RAT) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 17.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by PDSP Ki Database | J Pharmacol Exp Ther 289: 1229-36 (1999) BindingDB Entry DOI: 10.7270/Q2TX3CWQ | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 100 | 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 dopamine transporter | 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) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.14E+3 | 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 | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.10 | 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 Ability of the compound to inhibit human dopamine uptake by the human dopamine transporter in EM4 cells stably infected with Flag HA-hDAT | Bioorg Med Chem Lett 11: 1659-61 (2001) BindingDB Entry DOI: 10.7270/Q27943Z6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40 | 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 in rat brain 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 (Homo sapiens (Human)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc. Curated by ChEMBL | Assay Description Displacement of [3H]-citalopram from human SERT expressed in HEK293 cell membrane | Bioorg Med Chem 16: 1832-41 (2008) Article DOI: 10.1016/j.bmc.2007.11.009 BindingDB Entry DOI: 10.7270/Q20K29FS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50101075 ((2S,3S)-3-(3,4-Dichloro-phenyl)-2-methoxycarbonyl-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.10 | 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 human DAT expressed in transfected cell membrane | Bioorg Med Chem 16: 1832-41 (2008) Article DOI: 10.1016/j.bmc.2007.11.009 BindingDB Entry DOI: 10.7270/Q20K29FS | |||||||||||
More data for this Ligand-Target Pair |