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12 similar compounds to monomer 50243298

Wt: 459.5
BDBM50236165
Wt: 494.0
BDBM50236168
Wt: 449.5
BDBM50243341
Wt: 433.5
BDBM50243342
Wt: 433.5
BDBM50243343
Wt: 419.5
BDBM50243224
Wt: 433.5
BDBM50243225
Wt: 447.5
BDBM50243297
Wt: 447.5
BDBM50243299
Wt: 449.5
BDBM50243300
Wt: 475.5
BDBM50243541
Wt: 461.5
BDBM50372686

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50236165,50236168,50243341,50243342,50243343,50243224,50243225,50243297,50243299,50243300,50243541,50372686   
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))
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)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50236168
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32ClNO4/c30-24-6-4-5-23(17-24)27(32)19-31-16-15-20-9-11-21(12-10-20)22-13-14-26(29(33)34)28(18-22)35-25-7-2-1-3-8-25/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 0.460n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA


J Med Chem 51: 1925-44 (2008)

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)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243300
PNG
(4-((2S)-3-Hydroxy-2-{[(2R)-2-hydroxy-2-phenylethyl...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@H](CO)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO5/c1-18(2)33-26-15-22(12-13-24(26)27(31)32)20-10-8-19(9-11-20)14-23(17-29)28-16-25(30)21-6-4-3-5-7-21/h3-13,15,18,23,25,28-30H,14,16-17H2,1-2H3,(H,31,32)/t23-,25+/m1/s1
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n/an/an/an/a 7.40n/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)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243299
PNG
(4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}-2-methy...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CC(C)(C)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33NO4/c1-19(2)33-26-16-23(14-15-24(26)27(31)32)21-12-10-20(11-13-21)17-28(3,4)29-18-25(30)22-8-6-5-7-9-22/h5-16,19,25,29-30H,17-18H2,1-4H3,(H,31,32)/t25-/m0/s1
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n/an/an/an/a 0.910n/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)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243297
PNG
(4-((2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...)
Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33NO4/c1-19(2)18-33-27-16-24(13-14-25(27)28(31)32)22-11-9-21(10-12-22)15-20(3)29-17-26(30)23-7-5-4-6-8-23/h4-14,16,19-20,26,29-30H,15,17-18H2,1-3H3,(H,31,32)/t20-,26+/m1/s1
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n/an/an/an/a 0.0410n/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)

More data for this
Ligand-Target Pair
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 0.0910n/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)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50243224
PNG
(3-Ethoxy-4-[(2R)-2-{[(2R)-2-hydroxy-2-phenylethyl]...)
Show SMILES CCOc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO4/c1-3-31-25-16-22(13-14-23(25)26(29)30)20-11-9-19(10-12-20)15-18(2)27-17-24(28)21-7-5-4-6-8-21/h4-14,16,18,24,27-28H,3,15,17H2,1-2H3,(H,29,30)/t18-,24+/m1/s1
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n/an/an/an/a 0.310n/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)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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 0.300n/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)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50236168
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32ClNO4/c30-24-6-4-5-23(17-24)27(32)19-31-16-15-20-9-11-21(12-10-20)22-13-14-26(29(33)34)28(18-22)35-25-7-2-1-3-8-25/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 0.460n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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 260n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50236168
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32ClNO4/c30-24-6-4-5-23(17-24)27(32)19-31-16-15-20-9-11-21(12-10-20)22-13-14-26(29(33)34)28(18-22)35-25-7-2-1-3-8-25/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 55n/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)

More data for this
Ligand-Target Pair
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 0.430n/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)

More data for this
Ligand-Target Pair
Beta-1 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 690n/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)

More data for this
Ligand-Target Pair
Beta-1 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 780n/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)

More data for this
Ligand-Target Pair
Beta-1 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 500n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243300
PNG
(4-((2S)-3-Hydroxy-2-{[(2R)-2-hydroxy-2-phenylethyl...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@H](CO)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H31NO5/c1-18(2)33-26-15-22(12-13-24(26)27(31)32)20-10-8-19(9-11-20)14-23(17-29)28-16-25(30)21-6-4-3-5-7-21/h3-13,15,18,23,25,28-30H,14,16-17H2,1-2H3,(H,31,32)/t23-,25+/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243299
PNG
(4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}-2-methy...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CC(C)(C)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33NO4/c1-19(2)33-26-16-23(14-15-24(26)27(31)32)21-12-10-20(11-13-21)17-28(3,4)29-18-25(30)22-8-6-5-7-9-22/h5-16,19,25,29-30H,17-18H2,1-4H3,(H,31,32)/t25-/m0/s1
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n/an/an/an/a 280n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243297
PNG
(4-((2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...)
Show SMILES CC(C)COc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33NO4/c1-19(2)18-33-27-16-24(13-14-25(27)28(31)32)22-11-9-21(10-12-22)15-20(3)29-17-26(30)23-7-5-4-6-8-23/h4-14,16,19-20,26,29-30H,15,17-18H2,1-3H3,(H,31,32)/t20-,26+/m1/s1
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n/an/an/an/a 130n/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)

More data for this
Ligand-Target Pair
Beta-1 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 86n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50243224
PNG
(3-Ethoxy-4-[(2R)-2-{[(2R)-2-hydroxy-2-phenylethyl]...)
Show SMILES CCOc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO4/c1-3-31-25-16-22(13-14-23(25)26(29)30)20-11-9-19(10-12-20)15-18(2)27-17-24(28)21-7-5-4-6-8-21/h4-14,16,18,24,27-28H,3,15,17H2,1-2H3,(H,29,30)/t18-,24+/m1/s1
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n/an/an/an/a 62n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50236168
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32ClNO4/c30-24-6-4-5-23(17-24)27(32)19-31-16-15-20-9-11-21(12-10-20)22-13-14-26(29(33)34)28(18-22)35-25-7-2-1-3-8-25/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 55n/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 immunoassay


J Med Chem 52: 3063-72 (2009)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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 260n/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 immunoassay


J Med Chem 52: 3063-72 (2009)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50236168
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32ClNO4/c30-24-6-4-5-23(17-24)27(32)19-31-16-15-20-9-11-21(12-10-20)22-13-14-26(29(33)34)28(18-22)35-25-7-2-1-3-8-25/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 0.460n/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 immunoassay


J Med Chem 52: 3063-72 (2009)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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 0.300n/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 immunoassay


J Med Chem 52: 3063-72 (2009)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50372686
PNG
(CHEMBL271401)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCOCC2)c1)c1ccccc1
Show InChI InChI=1S/C28H31NO5/c30-26(22-4-2-1-3-5-22)19-29-15-12-20-6-8-21(9-7-20)23-10-11-25(28(31)32)27(18-23)34-24-13-16-33-17-14-24/h1-11,18,24,26,29-30H,12-17,19H2,(H,31,32)/t26-/m0/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 beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA


J Med Chem 51: 1925-44 (2008)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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 260n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


J Med Chem 51: 1925-44 (2008)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50236168
PNG
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H32ClNO4/c30-24-6-4-5-23(17-24)27(32)19-31-16-15-20-9-11-21(12-10-20)22-13-14-26(29(33)34)28(18-22)35-25-7-2-1-3-8-25/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 55n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


J Med Chem 51: 1925-44 (2008)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50372686
PNG
(CHEMBL271401)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCOCC2)c1)c1ccccc1
Show InChI InChI=1S/C28H31NO5/c30-26(22-4-2-1-3-5-22)19-29-15-12-20-6-8-21(9-7-20)23-10-11-25(28(31)32)27(18-23)34-24-13-16-33-17-14-24/h1-11,18,24,26,29-30H,12-17,19H2,(H,31,32)/t26-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA


J Med Chem 51: 1925-44 (2008)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50236165
PNG
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-phenyleth...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1
Show InChI InChI=1S/C29H33NO4/c31-27(23-7-3-1-4-8-23)20-30-18-17-21-11-13-22(14-12-21)24-15-16-26(29(32)33)28(19-24)34-25-9-5-2-6-10-25/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 0.300n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA


J Med Chem 51: 1925-44 (2008)

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
PDB
MMDB

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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)

More data for this
Ligand-Target Pair