BDBM50323772 CHEMBL1214006::N-((E)-4-Fluorobut-2-en-1-yl)-2beta-carbomethoxy-3beta-(4'-chlorophenyl)nortropane
SMILES: COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C\C=C\CF
InChI Key: InChIKey=LMVDJMCDHZLBFE-PMWAWBRWSA-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 dopamine transporter (Homo sapiens (Human)) | BDBM50323772 (CHEMBL1214006 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from human DAT | J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50323772 (CHEMBL1214006 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Curated by ChEMBL | Assay Description Displacement of [3H](R,S)-citalopram HBr from human SERT | J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50323772 (CHEMBL1214006 | N-((E)-4-Fluorobut-2-en-1-yl)-2bet...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 142 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Curated by ChEMBL | Assay Description Displacement of [3H]nisoxetine from human NET | J Med Chem 53: 5549-57 (2010) Article DOI: 10.1021/jm100269c BindingDB Entry DOI: 10.7270/Q2KK9CRK | |||||||||||
More data for this Ligand-Target Pair |