BDBM50002331 4-[4-(5-Fluoro-4-methoxy-pyrimidin-2-yl)-piperazin-1-yl]-1-(4-fluoro-phenyl)-butan-1-ol::CHEMBL141854
SMILES: COc1nc(ncc1F)N1CCN(CCCC(O)c2ccc(F)cc2)CC1
InChI Key: InChIKey=LTCULVKPMWAHBA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50002331 (4-[4-(5-Fluoro-4-methoxy-pyrimidin-2-yl)-piperazin...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Displacement of (+)-[3H]-3-PPP from rat cortical sigma site | J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50002331 (4-[4-(5-Fluoro-4-methoxy-pyrimidin-2-yl)-piperazin...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description Inhibition of [3H]WB-4101 binding to rat cortical Alpha-1 adrenergic receptor in vitro | J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50002331 (4-[4-(5-Fluoro-4-methoxy-pyrimidin-2-yl)-piperazin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co. Curated by ChEMBL | Assay Description In vitro inhibitory against radioligand [3H]spiperone binding to rat striatal Dopamine receptor D2 | J Med Chem 35: 4516-25 (1993) BindingDB Entry DOI: 10.7270/Q2H70GDV | |||||||||||
More data for this Ligand-Target Pair |