BDBM25758 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide::Albetol::Labetolol::Normodyne::labetalol
SMILES: CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
InChI Key: InChIKey=SGUAFYQXFOLMHL-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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Dipeptidyl peptidase 3 (Bos mutus) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | Article | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Competitive inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate prein... | Citation and Details Article DOI: 10.1007/s00044-010-9454-7 BindingDB Entry DOI: 10.7270/Q2Z60RZ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Rattus norvegicus (Rat)) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | Article PubMed | 12.0 | 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) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | Article PubMed | 67.6 | 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 | |||||||||||||
Serotonin 1B/1D receptor (Rattus norvegicus (Rat)) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | Article PubMed | 2.00E+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 | |||||||||||||
Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | PubMed | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for norepinephrine as agonist. | J Med Chem 25: 670-9 (1982) BindingDB Entry DOI: 10.7270/Q2T1555M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | PubMed | n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for norepinephrine as agonist. | J Med Chem 25: 670-9 (1982) BindingDB Entry DOI: 10.7270/Q2T1555M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (GUINEA PIG) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | PubMed | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was evaluated for the antagonistic activity against beta-1 adrenergic receptor. | J Med Chem 29: 1009-15 (1986) BindingDB Entry DOI: 10.7270/Q2GF0VPR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heparanase (Homo sapiens (Human)) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | 1.00E+6 | n/a | n/a | n/a | n/a | n/a |
Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es Curated by ChEMBL | Assay Description Binding affinity to recombinant heparanase catalytic stie (unknown origin) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assa... | Bioorg Med Chem 21: 1944-51 (2013) Article DOI: 10.1016/j.bmc.2013.01.033 BindingDB Entry DOI: 10.7270/Q2HQ419G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-2 adrenergic receptor (GUINEA PIG) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | PubMed | n/a | n/a | n/a | 39.8 | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was evaluated for the antagonistic activity against beta-2 adrenergic receptor. | J Med Chem 29: 1009-15 (1986) BindingDB Entry DOI: 10.7270/Q2GF0VPR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 6.49E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | PubMed | n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for norepinephrine as agonist. | J Med Chem 25: 670-9 (1982) BindingDB Entry DOI: 10.7270/Q2T1555M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-3 adrenergic receptor (Homo sapiens (Human)) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | 661 | 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 | |||||||||||||
Dipeptidyl peptidase 3 (Bos mutus) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | Article | n/a | n/a | 3.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of Capra hircus (goat) brain DPP-3 using Arg-Arg-4mbetaNA as substrate assessed as liberation of 4mbetaNA from substrate | Citation and Details Article DOI: 10.1007/s00044-010-9454-7 BindingDB Entry DOI: 10.7270/Q2Z60RZ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-1 adrenergic receptor (Homo sapiens (Human)) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | DrugBank Article PubMed | n/a | n/a | n/a | 23.5 | 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 | |||||||||||||
Beta-2 adrenergic receptor (Homo sapiens (Human)) | BDBM25758 (2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents | DrugBank Article PubMed | n/a | n/a | n/a | 9.30 | 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 |