BDBM50334215 (+/-)-threo-3-Iodomethylphenidate::CHEMBL1641691
SMILES: COC(=O)[C@@H]([C@H]1CCCCN1)c1cccc(I)c1
InChI Key: InChIKey=OFLGSFKBBRGLOC-CHWSQXEVSA-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)) | BDBM50334215 ((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy Curated by ChEMBL | Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig | Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50334215 ((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting | ACS Med Chem Lett 3: 378-382 (2012) Article DOI: 10.1021/ml3000098 BindingDB Entry DOI: 10.7270/Q2FX7BHG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50334215 ((+/-)-threo-3-Iodomethylphenidate | CHEMBL1641691) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University Mylan School of Pharmacy Curated by ChEMBL | Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells | Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567 | |||||||||||
More data for this Ligand-Target Pair |