BDBM50001863 1-{5-[4-(2-Butoxy-phenyl)-piperazin-1-ylmethyl]-1-methyl-1H-pyrrol-2-ylmethyl}-azepan-2-one::CHEMBL348002
SMILES: CCCCOc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)n2C)CC1
InChI Key: InChIKey=GDKYCVUEIWJHFP-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50001863 (1-{5-[4-(2-Butoxy-phenyl)-piperazin-1-ylmethyl]-1-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Binding affinity towards dopamine receptor D2 by displacing [3H]spiperone radioligand in rat striatum | J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50001863 (1-{5-[4-(2-Butoxy-phenyl)-piperazin-1-ylmethyl]-1-...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description The compound was tested for its binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]WB-4101 radioligand in rat cerebral cortex | J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 1 (5-HT1) receptor (RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...) | BDBM50001863 (1-{5-[4-(2-Butoxy-phenyl)-piperazin-1-ylmethyl]-1-...) | PDB MMDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description The compound was tested for its binding affinity towards 5-hydroxytryptamine 1 receptor by displacing [3H]5-HT radioligand in rat cerebral cortex | J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...) | BDBM50001863 (1-{5-[4-(2-Butoxy-phenyl)-piperazin-1-ylmethyl]-1-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 237 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description The compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor by displacing [3H]ketanserin radioligand in rat cerebral cort... | J Med Chem 35: 552-8 (1992) BindingDB Entry DOI: 10.7270/Q2PR7WMW | |||||||||||
More data for this Ligand-Target Pair |