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5 similar compounds to monomer 25764

Wt: 251.3
BDBM81447
Wt: 233.3
BDBM50029181
Wt: 277.3
BDBM50318978
Purchase
Wt: 304.4
BDBM50318980
Wt: 223.3
BDBM50421729

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 81447,50029181,50318978,50318980,50421729   
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))
BDBM50318980
PNG
(1-(2-allylphenoxy)-3-(1-methylpiperidin-4-ylamino)...)
Show SMILES CN1CCC(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C18H28N2O2/c1-3-6-15-7-4-5-8-18(15)22-14-17(21)13-19-16-9-11-20(2)12-10-16/h3-5,7-8,16-17,19,21H,1,6,9-14H2,2H3
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2.40n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM81447
PNG
(CAS_43216 | Dihydroalprenolol,(+/-) | NSC_43216)
Show SMILES CCCc1ccccc1OCC(O)CNC(C)C
Show InChI InChI=1S/C15H25NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3
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2.60n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 568-80 (1976)


BindingDB Entry DOI: 10.7270/Q2ZK5F5P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318978
PNG
(1-(2-allylphenoxy)-3-morpholinopropan-2-ol | CHEMB...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCOCC1
Show InChI InChI=1S/C16H23NO3/c1-2-5-14-6-3-4-7-16(14)20-13-15(18)12-17-8-10-19-11-9-17/h2-4,6-7,15,18H,1,5,8-13H2
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7n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50318978
PNG
(1-(2-allylphenoxy)-3-morpholinopropan-2-ol | CHEMB...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCOCC1
Show InChI InChI=1S/C16H23NO3/c1-2-5-14-6-3-4-7-16(14)20-13-15(18)12-17-8-10-19-11-9-17/h2-4,6-7,15,18H,1,5,8-13H2
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114n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50318980
PNG
(1-(2-allylphenoxy)-3-(1-methylpiperidin-4-ylamino)...)
Show SMILES CN1CCC(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C18H28N2O2/c1-3-6-15-7-4-5-8-18(15)22-14-17(21)13-19-16-9-11-20(2)12-10-16/h3-5,7-8,16-17,19,21H,1,6,9-14H2,2H3
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260n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50318978
PNG
(1-(2-allylphenoxy)-3-morpholinopropan-2-ol | CHEMB...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCOCC1
Show InChI InChI=1S/C16H23NO3/c1-2-5-14-6-3-4-7-16(14)20-13-15(18)12-17-8-10-19-11-9-17/h2-4,6-7,15,18H,1,5,8-13H2
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4.96E+3n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50318980
PNG
(1-(2-allylphenoxy)-3-(1-methylpiperidin-4-ylamino)...)
Show SMILES CN1CCC(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C18H28N2O2/c1-3-6-15-7-4-5-8-18(15)22-14-17(21)13-19-16-9-11-20(2)12-10-16/h3-5,7-8,16-17,19,21H,1,6,9-14H2,2H3
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6.23E+3n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50029181
PNG
(CHEMBL134211 | [3-(2-Allyl-phenoxy)-propyl]-isopro...)
Show SMILES CC(C)NCCCOc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO/c1-4-8-14-9-5-6-10-15(14)17-12-7-11-16-13(2)3/h4-6,9-10,13,16H,1,7-8,11-12H2,2-3H3
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n/an/a 56n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal squalene synthase


J Med Chem 38: 4157-60 (1995)


Article DOI: 10.1021/jm00021a003
BindingDB Entry DOI: 10.7270/Q21V5D0D
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50421729
PNG
(CHEMBL6920)
Show SMILES CC(C)NCC(O)COc1ccccc1C
Show InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-7-5-4-6-11(13)3/h4-7,10,12,14-15H,8-9H2,1-3H3
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n/an/an/a 10n/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
ADRB2


(BOVINE)
BDBM81447
PNG
(CAS_43216 | Dihydroalprenolol,(+/-) | NSC_43216)
Show SMILES CCCc1ccccc1OCC(O)CNC(C)C
Show InChI InChI=1S/C15H25NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3
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n/an/an/a 0.630n/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
Beta-2 adrenergic receptor


(BOVINE)
BDBM81447
PNG
(CAS_43216 | Dihydroalprenolol,(+/-) | NSC_43216)
Show SMILES CCCc1ccccc1OCC(O)CNC(C)C
Show InChI InChI=1S/C15H25NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h5-6,8-9,12,14,16-17H,4,7,10-11H2,1-3H3
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n/an/an/a 0.631n/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
Beta-2 adrenergic receptor


(BOVINE)
BDBM50421729
PNG
(CHEMBL6920)
Show SMILES CC(C)NCC(O)COc1ccccc1C
Show InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-7-5-4-6-11(13)3/h4-7,10,12,14-15H,8-9H2,1-3H3
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n/an/an/a 5.10n/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