BDBM50047098 1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1-yl]-ethyl}-4,5-dihydro-1H,3H-2-thia-1,2a-diaza-acenaphthylene 2,2-dioxide::CHEMBL274728::RP-68303
SMILES: Fc1ccc2[nH]cc(CC3CCN(CCN4c5cccc6CCCN(c56)S4(=O)=O)CC3)c2c1
InChI Key: InChIKey=NZUSTSFFNOEAHE-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50047098 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL | Assay Description Binding affinity at dopamine receptor D2 by the inhibition of binding to [3H]-spiperone in rat striatal membranes | J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 1 (5-HT1) receptor (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...) | BDBM50047098 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) | PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to inhibit [3H]paroxetine binding to rat cortical membranes | Bioorg Med Chem Lett 3: 1913-1918 (1993) Article DOI: 10.1016/S0960-894X(01)80986-0 BindingDB Entry DOI: 10.7270/Q27944M4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50047098 (1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL | Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake | J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z | |||||||||||
More data for this Ligand-Target Pair |