BDBM50086666 8-(3-tert-Butylamino-2-hydroxy-propoxy)-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-4H-benzo[1,4]thiazin-3-one::CHEMBL143463
SMILES: COc1ccccc1N1CCN(CCCN2C(=O)CSc3c(OCC(O)CNC(C)(C)C)cccc23)CC1
InChI Key: InChIKey=UORFXDKDNXZABJ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50086666 (8-(3-tert-Butylamino-2-hydroxy-propoxy)-4-{3-[4-(2...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Perugia Curated by ChEMBL | Assay Description Alpha-1 adrenergic receptor binding affinity by measuring the displacement of [3H]prazosin binding in rat brain | Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Canis familiaris) | BDBM50086666 (8-(3-tert-Butylamino-2-hydroxy-propoxy)-4-{3-[4-(2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Perugia Curated by ChEMBL | Assay Description Beta-2 adrenergic receptor binding affinity by measuring the displacement of [3H]-DHA binding in rat lung | Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Rattus norvegicus (Rat)) | BDBM50086666 (8-(3-tert-Butylamino-2-hydroxy-propoxy)-4-{3-[4-(2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Perugia Curated by ChEMBL | Assay Description Compound was evaluated for its Beta-1 adrenergic receptor binding affinity by measuring the displacement of [3H]-dihydroalprenolol binding in rat hea... | Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat)) | BDBM50086666 (8-(3-tert-Butylamino-2-hydroxy-propoxy)-4-{3-[4-(2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Perugia Curated by ChEMBL | Assay Description Alpha-2 adrenergic receptor binding affinity by measuring the displacement of [3H]clonidine binding in rat cerebral cortex | Bioorg Med Chem Lett 10: 465-8 (2000) BindingDB Entry DOI: 10.7270/Q2SJ1JVG | |||||||||||
More data for this Ligand-Target Pair |