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Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with all data for entry = 50026363   
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-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243343
PNG
(4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]am...)
Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO4/c1-3-17-32-25-18-23(13-14-24(25)27(30)31)21-11-9-20(10-12-21)15-16-28-19(2)26(29)22-7-5-4-6-8-22/h4-14,18-19,26,28-29H,3,15-17H2,1-2H3,(H,30,31)/t19-,26-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243342
PNG
(4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]am...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO4/c1-18(2)32-25-17-23(13-14-24(25)27(30)31)21-11-9-20(10-12-21)15-16-28-19(3)26(29)22-7-5-4-6-8-22/h4-14,17-19,26,28-29H,15-16H2,1-3H3,(H,30,31)/t19-,26-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50236183
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H28ClNO4/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-28-16-24(29)21-4-3-5-22(27)14-21/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50236185
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243392
PNG
(4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]am...)
Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C26H30N2O4/c1-3-13-32-25-15-21(10-11-23(25)26(30)31)20-8-6-19(7-9-20)14-18(2)28-17-24(29)22-5-4-12-27-16-22/h4-12,15-16,18,24,28-29H,3,13-14,17H2,1-2H3,(H,30,31)/t18-,24+/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243225
PNG
(4-((2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO4/c1-18(2)32-26-16-23(13-14-24(26)27(30)31)21-11-9-20(10-12-21)15-19(3)28-17-25(29)22-7-5-4-6-8-22/h4-14,16,18-19,25,28-29H,15,17H2,1-3H3,(H,30,31)/t19-,25+/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243222
PNG
(4-[(2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...)
Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1ccccc1
Show InChI InChI=1S/C24H25NO3/c1-17(25-16-23(26)21-5-3-2-4-6-21)15-18-7-9-19(10-8-18)20-11-13-22(14-12-20)24(27)28/h2-14,17,23,25-26H,15-16H2,1H3,(H,27,28)/t17-,23+/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50236181
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO3/c1-19(2)16-24-17-23(12-13-25(24)27(30)31)21-10-8-20(9-11-21)14-15-28-18-26(29)22-6-4-3-5-7-22/h3-13,17,19,26,28-29H,14-16,18H2,1-2H3,(H,30,31)/t26-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243113
PNG
(4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)nc2)cc1
Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-22-14-20(7-9-23(22)26(31)32)19-5-3-18(4-6-19)11-12-28-16-24(30)21-8-10-25(27)29-15-21/h3-10,14-15,17,24,28,30H,11-13,16H2,1-2H3,(H2,27,29)(H,31,32)/t24-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243112
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-(pyridin-...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccnc1
Show InChI InChI=1S/C28H32N2O4/c31-26(23-5-4-15-29-18-23)19-30-16-14-20-8-10-21(11-9-20)22-12-13-25(28(32)33)27(17-22)34-24-6-2-1-3-7-24/h4-5,8-13,15,17-18,24,26,30-31H,1-3,6-7,14,16,19H2,(H,32,33)/t26-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243110
PNG
(4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)nc2)cc1
Show InChI InChI=1S/C25H29N3O4/c1-16(2)32-23-13-19(7-9-21(23)25(30)31)18-5-3-17(4-6-18)11-12-27-15-22(29)20-8-10-24(26)28-14-20/h3-10,13-14,16,22,27,29H,11-12,15H2,1-2H3,(H2,26,28)(H,30,31)/t22-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243390
PNG
(4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]am...)
Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccnc1
Show InChI InChI=1S/C23H24N2O3/c1-16(25-15-22(26)21-3-2-12-24-14-21)13-17-4-6-18(7-5-17)19-8-10-20(11-9-19)23(27)28/h2-12,14,16,22,25-26H,13,15H2,1H3,(H,27,28)/t16-,22+/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243391
PNG
(4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridyl)ethyl]amin...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C26H30N2O4/c1-17(2)32-25-14-21(10-11-23(25)26(30)31)20-8-6-19(7-9-20)13-18(3)28-16-24(29)22-5-4-12-27-15-22/h4-12,14-15,17-18,24,28-29H,13,16H2,1-3H3,(H,30,31)/t18-,24+/m1/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243064
PNG
((R)-4'-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)et...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H28N2O4/c1-17(2)31-24-14-20(9-10-22(24)25(29)30)19-7-5-18(6-8-19)11-13-27-16-23(28)21-4-3-12-26-15-21/h3-10,12,14-15,17,23,27-28H,11,13,16H2,1-2H3,(H,29,30)/t23-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243167
PNG
(4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...)
Show SMILES Nc1ccc(cn1)[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1
Show InChI InChI=1S/C28H33N3O4/c29-27-13-11-22(17-31-27)25(32)18-30-15-14-19-6-8-20(9-7-19)21-10-12-24(28(33)34)26(16-21)35-23-4-2-1-3-5-23/h6-13,16-17,23,25,30,32H,1-5,14-15,18H2,(H2,29,31)(H,33,34)/t25-/m0/s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and 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 2n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50236182
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C24H24ClNO4/c1-30-23-14-18(9-10-21(23)24(28)29)17-7-5-16(6-8-17)11-12-26-15-22(27)19-3-2-4-20(25)13-19/h2-10,13-14,22,26-27H,11-12,15H2,1H3,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 4.80n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243390
PNG
(4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]am...)
Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccnc1
Show InChI InChI=1S/C23H24N2O3/c1-16(25-15-22(26)21-3-2-12-24-14-21)13-17-4-6-18(7-5-17)19-8-10-20(11-9-19)23(27)28/h2-12,14,16,22,25-26H,13,15H2,1H3,(H,27,28)/t16-,22+/m1/s1
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n/an/an/an/a 0.490n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243543
PNG
(4-[(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]ami...)
Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(NCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H29ClN2O4/c1-2-14-33-25-16-19(8-11-23(25)26(31)32)18-6-9-22(10-7-18)29-13-12-28-17-24(30)20-4-3-5-21(27)15-20/h3-11,15-16,24,28-30H,2,12-14,17H2,1H3,(H,31,32)/t24-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243542
PNG
(4-(3-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(CCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H30ClNO4/c1-2-15-33-26-17-21(12-13-24(26)27(31)32)20-10-8-19(9-11-20)5-4-14-29-18-25(30)22-6-3-7-23(28)16-22/h3,6-13,16-17,25,29-30H,2,4-5,14-15,18H2,1H3,(H,31,32)/t25-/m0/s1
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n/an/an/an/a 180n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243541
PNG
(3-(Cyclohexyloxy)-4-(2-{[(2R)-2-hydroxy-2-phenylet...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1
Show InChI InChI=1S/C29H33NO5/c31-27(22-7-3-1-4-8-22)20-30-17-18-34-24-14-11-21(12-15-24)23-13-16-26(29(32)33)28(19-23)35-25-9-5-2-6-10-25/h1,3-4,7-8,11-16,19,25,27,30-31H,2,5-6,9-10,17-18,20H2,(H,32,33)/t27-/m0/s1
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n/an/an/an/a 91n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243484
PNG
(4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethoxy)-...)
Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO5/c1-19(2)18-33-26-16-22(10-13-24(26)27(30)31)20-8-11-23(12-9-20)32-15-14-28-17-25(29)21-6-4-3-5-7-21/h3-13,16,19,25,28-29H,14-15,17-18H2,1-2H3,(H,30,31)/t25-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243483
PNG
(4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethoxy)-...)
Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO5/c1-2-15-32-25-17-21(10-13-23(25)26(29)30)19-8-11-22(12-9-19)31-16-14-27-18-24(28)20-6-4-3-5-7-20/h3-13,17,24,27-28H,2,14-16,18H2,1H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 210n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243482
PNG
(4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethoxy)-...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO5/c1-18(2)32-25-16-21(10-13-23(25)26(29)30)19-8-11-22(12-9-19)31-15-14-27-17-24(28)20-6-4-3-5-7-20/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 510n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243481
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32ClNO5/c30-23-6-4-5-22(17-23)27(32)19-31-15-16-35-24-12-9-20(10-13-24)21-11-14-26(29(33)34)28(18-21)36-25-7-2-1-3-8-25/h4-6,9-14,17-18,25,27,31-32H,1-3,7-8,15-16,19H2,(H,33,34)/t27-/m0/s1
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n/an/an/an/a 52n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243438
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H30ClNO4/c1-18(2)14-22-15-20(8-11-25(22)27(31)32)19-6-9-24(10-7-19)33-13-12-29-17-26(30)21-4-3-5-23(28)16-21/h3-11,15-16,18,26,29-30H,12-14,17H2,1-2H3,(H,31,32)/t26-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243437
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H30ClNO5/c1-18(2)17-34-26-15-20(8-11-24(26)27(31)32)19-6-9-23(10-7-19)33-13-12-29-16-25(30)21-4-3-5-22(28)14-21/h3-11,14-15,18,25,29-30H,12-13,16-17H2,1-2H3,(H,31,32)/t25-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243436
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H28ClNO5/c1-2-13-33-25-16-19(8-11-23(25)26(30)31)18-6-9-22(10-7-18)32-14-12-28-17-24(29)20-4-3-5-21(27)15-20/h3-11,15-16,24,28-29H,2,12-14,17H2,1H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 120n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243542
PNG
(4-(3-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(CCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H30ClNO4/c1-2-15-33-26-17-21(12-13-24(26)27(31)32)20-10-8-19(9-11-20)5-4-14-29-18-25(30)22-6-3-7-23(28)16-22/h3,6-13,16-17,25,29-30H,2,4-5,14-15,18H2,1H3,(H,31,32)/t25-/m0/s1
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n/an/an/an/a 0.700n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243541
PNG
(3-(Cyclohexyloxy)-4-(2-{[(2R)-2-hydroxy-2-phenylet...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1
Show InChI InChI=1S/C29H33NO5/c31-27(22-7-3-1-4-8-22)20-30-17-18-34-24-14-11-21(12-15-24)23-13-16-26(29(32)33)28(19-23)35-25-9-5-2-6-10-25/h1,3-4,7-8,11-16,19,25,27,30-31H,2,5-6,9-10,17-18,20H2,(H,32,33)/t27-/m0/s1
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n/an/an/an/a 0.160n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243484
PNG
(4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethoxy)-...)
Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO5/c1-19(2)18-33-26-16-22(10-13-24(26)27(30)31)20-8-11-23(12-9-20)32-15-14-28-17-25(29)21-6-4-3-5-7-21/h3-13,16,19,25,28-29H,14-15,17-18H2,1-2H3,(H,30,31)/t25-/m0/s1
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n/an/an/an/a 0.550n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243483
PNG
(4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethoxy)-...)
Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO5/c1-2-15-32-25-17-21(10-13-23(25)26(29)30)19-8-11-22(12-9-19)31-16-14-27-18-24(28)20-6-4-3-5-7-20/h3-13,17,24,27-28H,2,14-16,18H2,1H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243482
PNG
(4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethoxy)-...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO5/c1-18(2)32-25-16-21(10-13-23(25)26(29)30)19-8-11-22(12-9-19)31-15-14-27-17-24(28)20-6-4-3-5-7-20/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243481
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32ClNO5/c30-23-6-4-5-22(17-23)27(32)19-31-15-16-35-24-12-9-20(10-13-24)21-11-14-26(29(33)34)28(18-21)36-25-7-2-1-3-8-25/h4-6,9-14,17-18,25,27,31-32H,1-3,7-8,15-16,19H2,(H,33,34)/t27-/m0/s1
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n/an/an/an/a 0.270n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243438
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H30ClNO4/c1-18(2)14-22-15-20(8-11-25(22)27(31)32)19-6-9-24(10-7-19)33-13-12-29-17-26(30)21-4-3-5-23(28)16-21/h3-11,15-16,18,26,29-30H,12-14,17H2,1-2H3,(H,31,32)/t26-/m0/s1
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n/an/an/an/a 0.680n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243437
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H30ClNO5/c1-18(2)17-34-26-15-20(8-11-24(26)27(31)32)19-6-9-23(10-7-19)33-13-12-29-16-25(30)21-4-3-5-22(28)14-21/h3-11,14-15,18,25,29-30H,12-13,16-17H2,1-2H3,(H,31,32)/t25-/m0/s1
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n/an/an/an/a 0.320n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243436
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H28ClNO5/c1-2-13-33-25-16-19(8-11-23(25)26(30)31)18-6-9-22(10-7-18)32-14-12-28-17-24(29)20-4-3-5-21(27)15-20/h3-11,15-16,24,28-29H,2,12-14,17H2,1H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 0.210n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243435
PNG
(4-(2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amin...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H28ClNO5/c1-17(2)33-25-15-19(8-11-23(25)26(30)31)18-6-9-22(10-7-18)32-13-12-28-16-24(29)20-4-3-5-21(27)14-20/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 84n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243544
PNG
(4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(OCCNC[C@H](O)c2ccc(N)nc2)cc1
Show InChI InChI=1S/C26H31N3O4/c1-17(2)13-21-14-19(5-9-23(21)26(31)32)18-3-7-22(8-4-18)33-12-11-28-16-24(30)20-6-10-25(27)29-15-20/h3-10,14-15,17,24,28,30H,11-13,16H2,1-2H3,(H2,27,29)(H,31,32)/t24-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50236185
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)
BDBM50243392
PNG
(4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]am...)
Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C26H30N2O4/c1-3-13-32-25-15-21(10-11-23(25)26(30)31)20-8-6-19(7-9-20)14-18(2)28-17-24(29)22-5-4-12-27-16-22/h4-12,15-16,18,24,28-29H,3,13-14,17H2,1-2H3,(H,30,31)/t18-,24+/m1/s1
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n/an/an/an/a 0.510n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)
BDBM50243342
PNG
(4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]am...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO4/c1-18(2)32-25-17-23(13-14-24(25)27(30)31)21-11-9-20(10-12-21)15-16-28-19(3)26(29)22-7-5-4-6-8-22/h4-14,17-19,26,28-29H,15-16H2,1-3H3,(H,30,31)/t19-,26-/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)
BDBM50243225
PNG
(4-((2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO4/c1-18(2)32-26-16-23(13-14-24(26)27(30)31)21-11-9-20(10-12-21)15-19(3)28-17-25(29)22-7-5-4-6-8-22/h4-14,16,18-19,25,28-29H,15,17H2,1-3H3,(H,30,31)/t19-,25+/m1/s1
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n/an/an/an/a 0.190n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)
BDBM50243113
PNG
(4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)nc2)cc1
Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-22-14-20(7-9-23(22)26(31)32)19-5-3-18(4-6-19)11-12-28-16-24(30)21-8-10-25(27)29-15-21/h3-10,14-15,17,24,28,30H,11-13,16H2,1-2H3,(H2,27,29)(H,31,32)/t24-/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)
BDBM50243112
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-(pyridin-...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccnc1
Show InChI InChI=1S/C28H32N2O4/c31-26(23-5-4-15-29-18-23)19-30-16-14-20-8-10-21(11-9-20)22-12-13-25(28(32)33)27(17-22)34-24-6-2-1-3-7-24/h4-5,8-13,15,17-18,24,26,30-31H,1-3,6-7,14,16,19H2,(H,32,33)/t26-/m0/s1
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n/an/an/an/a 1.30n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)
BDBM50243064
PNG
((R)-4'-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)et...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H28N2O4/c1-17(2)31-24-14-20(9-10-22(24)25(29)30)19-7-5-18(6-8-19)11-13-27-16-23(28)21-4-3-12-26-15-21/h3-10,12,14-15,17,23,27-28H,11,13,16H2,1-2H3,(H,29,30)/t23-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50240563
PNG
(CHEMBL59765 | ethyl 2-((S)-8-((R)-2-(3-chloropheny...)
Show SMILES CCOC(=O)COc1ccc2CCC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO4/c1-2-28-23(27)15-29-21-10-9-16-5-4-8-20(12-18(16)13-21)25-14-22(26)17-6-3-7-19(24)11-17/h3,6-7,9-11,13,20,22,25-26H,2,4-5,8,12,14-15H2,1H3/t20-,22-/m0/s1
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n/an/an/an/a 16n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Canis familiaris)
BDBM50240563
PNG
(CHEMBL59765 | ethyl 2-((S)-8-((R)-2-(3-chloropheny...)
Show SMILES CCOC(=O)COc1ccc2CCC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO4/c1-2-28-23(27)15-29-21-10-9-16-5-4-8-20(12-18(16)13-21)25-14-22(26)17-6-3-7-19(24)11-17/h3,6-7,9-11,13,20,22,25-26H,2,4-5,8,12,14-15H2,1H3/t20-,22-/m0/s1
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n/an/an/an/a 30n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243342
PNG
(4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]am...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO4/c1-18(2)32-25-17-23(13-14-24(25)27(30)31)21-11-9-20(10-12-21)15-16-28-19(3)26(29)22-7-5-4-6-8-22/h4-14,17-19,26,28-29H,15-16H2,1-3H3,(H,30,31)/t19-,26-/m0/s1
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n/an/an/an/a 0.810n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243341
PNG
(4-(2-{[(1S,2R)-2-Hydroxy-2-(4-hydroxyphenyl)-1-met...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H31NO5/c1-17(2)33-25-16-22(10-13-24(25)27(31)32)20-6-4-19(5-7-20)14-15-28-18(3)26(30)21-8-11-23(29)12-9-21/h4-13,16-18,26,28-30H,14-15H2,1-3H3,(H,31,32)/t18-,26-/m0/s1
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n/an/an/an/a 0.140n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
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