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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM25749'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM25749
PNG
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
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Article
PubMed
n/an/an/a 724n/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)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25749
PNG
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
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n/an/an/a 1.66E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity against beta-1 adrenergic receptor in isolated guinea pig atria


J Med Chem 30: 616-22 (1987)


Article DOI: 10.1021/jm00387a006
BindingDB Entry DOI: 10.7270/Q29P32VG
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25749
PNG
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
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PubMed
n/an/an/a 8.32E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Cardioselectivity for the beta-1 adrenergic receptor was determined against isoprenaline (antagonism) in isolated guinea pig trachea


J Med Chem 30: 1003-11 (1987)


Article DOI: 10.1021/jm00389a008
BindingDB Entry DOI: 10.7270/Q2251KC9
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25749
PNG
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
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PubMed
n/an/an/a 1.00E+3n/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)


Article DOI: 10.1021/jm00103a004
BindingDB Entry DOI: 10.7270/Q2KS6SRG
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25749
PNG
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
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PubMed
n/an/an/a 251n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to block Beta-1 adrenergic receptor in guinea pig right atria preparation


J Med Chem 25: 1408-12 (1983)


Article DOI: 10.1021/jm00354a003
BindingDB Entry DOI: 10.7270/Q2S183PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25749
PNG
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
UniProtKB/TrEMBL

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Article
PubMed
n/an/an/a 105n/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)


Article DOI: 10.1021/jm00361a004
BindingDB Entry DOI: 10.7270/Q2GH9K4C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25749
PNG
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
UniProtKB/TrEMBL

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CHEMBL
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Article
PubMed
n/an/an/a 1.66E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity against beta-1 adrenergic receptor of isolated guinea pig atria


J Med Chem 28: 153-60 (1985)


Article DOI: 10.1021/jm00380a001
BindingDB Entry DOI: 10.7270/Q21C1Z2K
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25749
PNG
(CHEMBL6995 | N-{4-[2-hydroxy-3-(propan-2-ylamino)p...)
Show SMILES CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)
UniProtKB/TrEMBL

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Article
PubMed
n/an/an/a 174n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity of compound against Beta-1 adrenergic receptor in isolated guinea pig left atria


J Med Chem 24: 994-8 (1982)


Article DOI: 10.1021/jm00140a015
BindingDB Entry DOI: 10.7270/Q2JH3ND4
More data for this
Ligand-Target Pair