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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'beeley' and Initial = 'l'   
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50290488
PNG
(8-Hydroxy-5-{2-hydroxy-3-[2-(4-methoxy-phenyl)-eth...)
Show SMILES COc1ccc(CCNC[C@@H](O)COc2ccc(O)c3NC(=O)CCc23)cc1
Show InChI InChI=1S/C21H26N2O5/c1-27-16-4-2-14(3-5-16)10-11-22-12-15(24)13-28-19-8-7-18(25)21-17(19)6-9-20(26)23-21/h2-5,7-8,15,22,24-25H,6,9-13H2,1H3,(H,23,26)/t15-/m1/s1
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n/an/an/an/a 560n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50290489
PNG
(2-Fluoro-5-{2-hydroxy-3-[2-(4-methoxy-phenyl)-ethy...)
Show SMILES COc1ccc(CCNC[C@@H](O)COc2ccc(F)c(O)c2)cc1
Show InChI InChI=1S/C18H22FNO4/c1-23-15-4-2-13(3-5-15)8-9-20-11-14(21)12-24-16-6-7-17(19)18(22)10-16/h2-7,10,14,20-22H,8-9,11-12H2,1H3/t14-/m1/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50290490
PNG
(4-{2-Hydroxy-3-[2-(4-methoxy-phenyl)-ethylamino]-p...)
Show SMILES COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C18H23NO5/c1-23-15-4-2-13(3-5-15)8-9-19-11-14(20)12-24-16-6-7-17(21)18(22)10-16/h2-7,10,14,19-22H,8-9,11-12H2,1H3/t14-/m1/s1
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n/an/an/an/a 820n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50290491
PNG
(3-{2-Hydroxy-3-[2-(4-methoxy-phenyl)-ethylamino]-p...)
Show SMILES COc1ccc(CCNC[C@@H](O)COc2cccc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-22-17-7-5-14(6-8-17)9-10-19-12-16(21)13-23-18-4-2-3-15(20)11-18/h2-8,11,16,19-21H,9-10,12-13H2,1H3/t16-/m1/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50290492
PNG
(CHEMBL72396 | Hexyl-(4-{2-[2-hydroxy-3-(8-hydroxy-...)
Show SMILES CCCCCCP(O)(=O)COc1ccc(CCNC[C@H](O)COc2ccc(O)c3NC(=O)CCc23)cc1
Show InChI InChI=1S/C27H39N2O7P/c1-2-3-4-5-16-37(33,34)19-36-22-8-6-20(7-9-22)14-15-28-17-21(30)18-35-25-12-11-24(31)27-23(25)10-13-26(32)29-27/h6-9,11-12,21,28,30-31H,2-5,10,13-19H2,1H3,(H,29,32)(H,33,34)/t21-/m0/s1
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n/an/an/an/a 290n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50290493
PNG
(4-{2-Hydroxy-3-[2-(4-methoxy-phenyl)-ethylamino]-p...)
Show SMILES COc1ccc(CCNC[C@@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H23NO4/c1-22-17-6-2-14(3-7-17)10-11-19-12-16(21)13-23-18-8-4-15(20)5-9-18/h2-9,16,19-21H,10-13H2,1H3/t16-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50290497
PNG
(4-{2-Hydroxy-3-[2-(4-methoxy-phenyl)-ethylamino]-p...)
Show SMILES COc1ccc(CCNC[C@@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C19H23N3O4/c1-25-15-7-5-13(6-8-15)9-10-20-11-14(23)12-26-17-4-2-3-16-18(17)22-19(24)21-16/h2-8,14,20,23H,9-12H2,1H3,(H2,21,22,24)/t14-/m1/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50290494
PNG
(4-{2-Hydroxy-3-[2-(4-methoxy-phenyl)-ethylamino]-p...)
Show SMILES COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(CO)c2)cc1
Show InChI InChI=1S/C19H25NO5/c1-24-17-4-2-14(3-5-17)8-9-20-11-16(22)13-25-18-6-7-19(23)15(10-18)12-21/h2-7,10,16,20-23H,8-9,11-13H2,1H3/t16-/m1/s1
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n/an/an/an/a 4.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50098668
PNG
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-1,3-dihydr...)
Show SMILES CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12
Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50290495
PNG
(CHEMBL305808 | N-(2-Hydroxy-5-{2-hydroxy-3-[2-(4-m...)
Show SMILES COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(NS(C)(=O)=O)c2)cc1
Show InChI InChI=1S/C19H26N2O6S/c1-26-16-5-3-14(4-6-16)9-10-20-12-15(22)13-27-17-7-8-19(23)18(11-17)21-28(2,24)25/h3-8,11,15,20-23H,9-10,12-13H2,1-2H3/t15-/m1/s1
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n/an/an/an/a 400n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50290496
PNG
(2-Fluoro-4-{2-hydroxy-3-[2-(4-methoxy-phenyl)-ethy...)
Show SMILES COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(F)c2)cc1
Show InChI InChI=1S/C18H22FNO4/c1-23-15-4-2-13(3-5-15)8-9-20-11-14(21)12-24-16-6-7-18(22)17(19)10-16/h2-7,10,14,20-22H,8-9,11-12H2,1H3/t14-/m1/s1
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n/an/an/an/a 7.90E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50240567
PNG
((4-{(R)-2-[(S)-2-Hydroxy-3-(4-hydroxy-3-methanesul...)
Show SMILES C[C@H](Cc1ccc(OCP(O)(=O)c2ccccc2)cc1)NC[C@H](O)COc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C26H33N2O8PS/c1-19(27-16-21(29)17-35-23-12-13-26(30)25(15-23)28-38(2,33)34)14-20-8-10-22(11-9-20)36-18-37(31,32)24-6-4-3-5-7-24/h3-13,15,19,21,27-30H,14,16-18H2,1-2H3,(H,31,32)/t19-,21+/m1/s1
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n/an/an/an/a 120n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist efficacy for human Beta-3 adrenergic receptor expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 7: 219-224 (1997)


Article DOI: 10.1016/S0960-894X(96)00603-8
BindingDB Entry DOI: 10.7270/Q2QZ2BFH
More data for this
Ligand-Target Pair