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3 similar compounds to monomer 50243168

Wt: 395.8
BDBM50236152
Wt: 409.9
BDBM50243169
Wt: 430.3
BDBM50372691

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50236152,50243169,50372691   
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))
BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/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 beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation


J Med Chem 51: 4804-22 (2008)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/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 beta2 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))
BDBM50243169
PNG
(4-[(2S)-2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES C[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO3/c1-16(26-15-23(27)21-3-2-4-22(25)14-21)13-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(28)29/h2-12,14,16,23,26-27H,13,15H2,1H3,(H,28,29)/t16-,23-/m0/s1
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n/an/an/an/a 6n/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))
BDBM50243169
PNG
(4-[(2S)-2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES C[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO3/c1-16(26-15-23(27)21-3-2-4-22(25)14-21)13-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(28)29/h2-12,14,16,23,26-27H,13,15H2,1H3,(H,28,29)/t16-,23-/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)

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


(Homo sapiens (human))
BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 6.70n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 5037-40 (2008)

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


(Homo sapiens (human))
BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/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 cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation


J Med Chem 51: 4804-22 (2008)

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


(Homo sapiens (human))
BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 6.70n/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-1 adrenergic receptor


(Homo sapiens (human))
BDBM50372691
PNG
(CHEMBL257106)
Show SMILES O[C@@H](CNCCc1ccc(c(Cl)c1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21Cl2NO3/c24-19-3-1-2-18(13-19)22(27)14-26-11-10-15-4-9-20(21(25)12-15)16-5-7-17(8-6-16)23(28)29/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 3.10n/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))
BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/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 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))
BDBM50372691
PNG
(CHEMBL257106)
Show SMILES O[C@@H](CNCCc1ccc(c(Cl)c1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H21Cl2NO3/c24-19-3-1-2-18(13-19)22(27)14-26-11-10-15-4-9-20(21(25)12-15)16-5-7-17(8-6-16)23(28)29/h1-9,12-13,22,26-27H,10-11,14H2,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 9.70n/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))
BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/m0/s1
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n/an/an/an/a 6.70n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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


J Med Chem 51: 4804-22 (2008)

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


(Homo sapiens (human))
BDBM50236152
PNG
(4'-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(cc1)C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H22ClNO3/c24-21-3-1-2-20(14-21)22(26)15-25-13-12-16-4-6-17(7-5-16)18-8-10-19(11-9-18)23(27)28/h1-11,14,22,25-26H,12-13,15H2,(H,27,28)/t22-/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 cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation


Bioorg Med Chem Lett 18: 5037-40 (2008)

More data for this
Ligand-Target Pair