BindingDB logo
myBDB logout

BDBM50295572 5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-diol::5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol, 6::Alupent::CHEMBL776::METAPROTERENOL::Orciprenaline::Prometa::[2-(3,5-Dihydroxy-phenyl)-2-hydroxy-ethyl]-isopropyl-ammonium::[2-(3,5-Dihydroxy-phenyl)-2-hydroxy-ethyl]-isopropyl-ammonium (orciprenaline)

SMILES: CC(C)NCC(O)c1cc(O)cc(O)c1

InChI Key: InChIKey=LMOINURANNBYCM-UHFFFAOYSA-N

Data: 1 IC50  5 Kd

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 6 hits for monomerid = 50295572   
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-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50295572
PNG
(5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...)
Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/a 1.30E+4n/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories



Assay Description
The binding of ligands to wild-type beta-AR was measured by competition with 35 pM 125I-CYP.


J Biol Chem 264: 13572-8 (1989)


BindingDB Entry DOI: 10.7270/Q29G5KDJ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50295572
PNG
(5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...)
Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/an/a 4.81E+3n/an/an/an/an/a



Instituto Polit£cnico Nacional (IPN)

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic beta2 receptor


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


Article DOI: 10.1016/j.ejmech.2008.12.016
BindingDB Entry DOI: 10.7270/Q2FQ9XJN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50295572
PNG
(5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...)
Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

DrugBank
PubMed
n/an/an/a 501n/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM


Bioorg Med Chem Lett 23: 5376-81 (2013)


BindingDB Entry DOI: 10.7270/Q2F76GHV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50295572
PNG
(5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...)
Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 4.27E+3n/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)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50295572
PNG
(5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...)
Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase.


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
ADRB2


(BOVINE)
BDBM50295572
PNG
(5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...)
Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 9.12E+3n/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)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair