BindingDB logo
myBDB logout

BDBM25769 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol::Levalbuterol::Proventil::Salbutamol::Salbutamol,(+/-)::albuterol

SMILES: CC(C)(C)NCC(O)c1ccc(O)c(CO)c1

InChI Key: InChIKey=NDAUXUAQIAJITI-UHFFFAOYSA-N

Data: 8 KI  3 IC50  8 Kd  6 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 25769   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
501n/an/an/an/an/an/an/an/a



Institute of Cell Signaling

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 839-48 (2005)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
510 -8.49 980n/a 19n/an/a7.422



Intervet Innovation GmbH



Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...


J Med Chem 52: 1773-7 (2009)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.83E+3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic receptor expressed in CHO cells by filtration assay


J Med Chem 53: 3675-84 (2010)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.17E+3n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
2.40E+3n/an/an/an/an/an/an/an/a



Ohio State University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 270: 665-74 (1994)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.44E+3n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 568-80 (1976)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universität Würzburg

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dihydroalprenolol from beta2-adrenoceptor after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 22: 1213-8 (2012)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human beta2-adrenoceptor expressed in whole cells assessed as cAMP accumulation by homogeneous radioimmunoassay


Bioorg Med Chem Lett 22: 1213-8 (2012)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 245n/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against histamine-induced co...


Bioorg Med Chem Lett 25: 820-5 (2015)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 110n/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring at basal tone assessed as bronchorelaxation activity


Bioorg Med Chem Lett 25: 820-5 (2015)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response...


J Med Chem 53: 3675-84 (2010)

More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/an/a 520n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)


J Med Chem 28: 1328-34 (1985)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr


Bioorg Med Chem Lett 21: 4027-31 (2011)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.454n/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against histamine-induced co...


Eur J Med Chem 44: 2840-6 (2009)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 268n/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against carbachol-induced co...


Eur J Med Chem 44: 2840-6 (2009)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 68n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenergic receptor assessed as increase in cAMP level by whole cell assay


J Med Chem 53: 3675-84 (2010)

More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/an/a 570n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Apparent binding affinity constant to beta-2 adrenergic receptor determined using [3H]DHA


J Med Chem 29: 549-54 (1986)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 4.68E+4n/an/an/an/an/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)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 759n/an/an/an/an/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)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.16E+3n/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in Hartley guinea pig tracheal ring assessed as bronchorelaxation activity against carbachol-induced co...


Eur J Med Chem 44: 2840-6 (2009)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.19E+4n/an/an/a7.437



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)

More data for this
Ligand-Target Pair