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BDBM25753 2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide::Artrenolol::Atenolol::CHEMBL24::Tenormin::Tenormine

SMILES: CC(C)NCC(O)COc1ccc(CC(N)=O)cc1

InChI Key: InChIKey=METKIMKYRPQLGS-UHFFFAOYSA-N

Data: 9 KI  4 IC50  8 Kd

PDB links: 3 PDB IDs match 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 21 hits for monomerid = 25753   
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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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PubMed
97.7n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

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


(Homo sapiens (human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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PubMed
170n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-CGP12177 from human adrenergic beta1 receptor


J Med Chem 54: 5320-34 (2011)

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


(Homo sapiens (human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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388n/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
ADRB2


(Rattus norvegicus)
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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PubMed
2.82E+3n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

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


(Homo sapiens (Human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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8.14E+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
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Niigata College of Pharmacy

Curated by PDSP Ki Database




Jpn J Pharmacol 52: 195-200 (1990)

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


(Homo sapiens (human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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>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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by PDSP Ki Database




Synapse 15: 169-76 (1993)

More data for this
Ligand-Target Pair
Liver fatty acid binding protein (rat L-FABP)


(Rattus norvegicus (Rat))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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PubMed
7.17E+5n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of 1-anilinonaphthalene-8-sulphonic acid from rat recombinant L-FABP high binding affinity site expressed in Escherichia coli BL21 by co...


J Med Chem 51: 3755-64 (2008)

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


(GUINEA PIG)
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/an/a 1.17E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...


J Med Chem 29: 1065-80 (1986)

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


(Homo sapiens (human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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PubMed
n/an/a 1.64E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human alpha1 adrenoceptor


Bioorg Med Chem 18: 7675-99 (2010)

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


(GUINEA PIG)
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/an/a 1.17E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-2 adrenergic receptor activity was determined by measuring inhibition of the isoproterenol induced relaxation in isolated guinea pig tr...


J Med Chem 26: 950-7 (1983)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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PubMed
n/an/a 1.80n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)

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


(Homo sapiens (human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/a 2.10n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H](-)CGP12177 from human recombinant Beta-1 adrenergic receptor expressed in HEK293 cells


Bioorg Med Chem 24: 1793-810 (2016)

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


(GUINEA PIG)
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/an/a 158n/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Activity at beta-1 adrenergic receptor


J Med Chem 35: 4676-82 (1993)

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


(GUINEA PIG)
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/an/a 24n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)

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


(GUINEA PIG)
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/an/a 24n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro beta-1 adrenergic receptor activity was determined via inhibition of the positive chronotropic actions of isoproterenol in isolated guinea p...


J Med Chem 26: 950-7 (1983)

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


(Homo sapiens (human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/an/a 7.76E+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-1 adrenergic receptor


(Homo sapiens (human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/a 2.10n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP 12177 from human recombinant beta1 adrenergic receptor expressed in HEK293 cells measured after 60 mins by scintillation coun...


Bioorg Med Chem 25: 471-482 (2017)

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


(Homo sapiens (human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/an/a 219n/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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/an/a 1.02E+3n/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