BDBM25755 Acebutolol::Acetobutolol::N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide::Neptal
SMILES: CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
InChI Key: InChIKey=GOEMGAFJFRBGGG-UHFFFAOYSA-N
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 |
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Beta-1 adrenergic receptor (Rattus norvegicus (Rat)) | BDBM25755 (Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Niigata College of Pharmacy Curated by PDSP Ki Database | Jpn J Pharmacol 52: 195-200 (1990) Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Rattus norvegicus) | BDBM25755 (Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 7.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Niigata College of Pharmacy Curated by PDSP Ki Database | Jpn J Pharmacol 52: 195-200 (1990) Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM25755 (Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lausanne Curated by ChEMBL | Assay Description Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement | J Med Chem 39: 126-34 (1996) Article DOI: 10.1021/jm950410b BindingDB Entry DOI: 10.7270/Q2VX0K7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Solute carrier family 22 member 1 (Homo sapiens (Human)) | BDBM25755 (Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | 9.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells | J Pharmacol Exp Ther 286: 354-61 (1998) BindingDB Entry DOI: 10.7270/Q28P63DW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM25755 (Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | n/a | 832 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham | Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined... | Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM25755 (Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 3.89E+4 | n/a | n/a | n/a | n/a | n/a |
University of Nottingham | Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined... | Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM25755 (Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | n/a | 347 | n/a | n/a | n/a | 7.4 | 37 |
University of Nottingham | Assay Description The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined... | Br J Pharmacol 144: 317-22 (2005) Article DOI: 10.1038/sj.bjp.0706048 BindingDB Entry DOI: 10.7270/Q28C9TKV | |||||||||||
More data for this Ligand-Target Pair |