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Articleid 50029924

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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


(GUINEA PIG)
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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Article
n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for beta1-adrenergic blocking effect by measuring the ability to inhibit the positive inotropic effect of isoproterenol on the isolated right ...


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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UniProtKB/TrEMBL

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Article
n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for beta-2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle o...


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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Article
n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for beta-2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle o...


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50289372
PNG
((S)-1,1-Difluoro-3-isopropylamino-1-[4-(2-methoxy-...)
Show SMILES COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1
Show InChI InChI=1S/C15H23F2NO3/c1-11(2)18-10-14(19)15(16,17)21-13-6-4-12(5-7-13)8-9-20-3/h4-7,11,14,18-19H,8-10H2,1-3H3/t14-/m0/s1
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Article
n/an/a 1.35E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for beta-1-adrenergic blocking effect by measuring the ability to inhibit the positive inotropic effect of isoproterenol on the isolated right...


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50289372
PNG
((S)-1,1-Difluoro-3-isopropylamino-1-[4-(2-methoxy-...)
Show SMILES COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1
Show InChI InChI=1S/C15H23F2NO3/c1-11(2)18-10-14(19)15(16,17)21-13-6-4-12(5-7-13)8-9-20-3/h4-7,11,14,18-19H,8-10H2,1-3H3/t14-/m0/s1
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Article
n/an/a 1.54E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for beta1-adrenergic blocking effect by measuring the ability to inhibit the positive inotropic effect of isoproterenol on the isolated right ...


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50289372
PNG
((S)-1,1-Difluoro-3-isopropylamino-1-[4-(2-methoxy-...)
Show SMILES COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1
Show InChI InChI=1S/C15H23F2NO3/c1-11(2)18-10-14(19)15(16,17)21-13-6-4-12(5-7-13)8-9-20-3/h4-7,11,14,18-19H,8-10H2,1-3H3/t14-/m0/s1
PDB

UniProtKB/TrEMBL

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Article
n/an/a 2.15E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for beta-2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle o...


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50214285
PNG
(CHEMBL279012)
Show SMILES COCCc1ccc(OC(F)(F)[C@H](O)CNC(C)C)cc1
Show InChI InChI=1S/C15H23F2NO3/c1-11(2)18-10-14(19)15(16,17)21-13-6-4-12(5-7-13)8-9-20-3/h4-7,11,14,18-19H,8-10H2,1-3H3/t14-/m1/s1
PDB

UniProtKB/SwissProt

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Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its ability to inhibit (-)-[3H]dihydroalprenolol binding to beta-adrenergic receptor sites in rat cortex


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%