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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50015769   
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


(Homo sapiens (Human))
BDBM50160821
PNG
(CHEMBL182770 | Methanesulfonic acid 3-((R)-2-{(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1 |wU:19.21,1.0,(1.08,-.52,;1.1,1.02,;2.42,1.8,;3.76,1.02,;3.76,-.52,;5.08,-1.3,;6.43,-.52,;7.75,-1.28,;7.72,-2.83,;9.06,-3.6,;10.38,-2.83,;9.06,-5.15,;7.72,-4.37,;9.08,-.52,;9.08,1.02,;7.75,1.77,;6.43,1.02,;-.24,1.8,;-1.56,1.02,;-2.9,1.77,;-2.92,3.32,;-4.24,1,;-4.24,-.55,;-5.58,-1.32,;-6.92,-.55,;-6.92,1,;-8.24,1.77,;-9.58,1,;-10.9,1.76,;-12.23,.98,;-13.57,1.75,;-12.23,-.56,;-5.58,1.77,)|
Show InChI InChI=1S/C25H33N3O4S/c1-17(2)11-12-26-21-8-5-7-19(14-21)23(29)16-27-18(3)13-20-15-28-25-22(20)9-6-10-24(25)32-33(4,30)31/h5-11,14-15,18,23,26-29H,12-13,16H2,1-4H3/t18-,23+/m1/s1
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n/an/an/an/a 36n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160826
PNG
(CHEMBL365669 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(CS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H30N2O6S2/c1-19(14-22-16-29-27-24(22)12-7-13-26(27)35-36(2,31)32)28-17-25(30)21-9-6-8-20(15-21)18-37(33,34)23-10-4-3-5-11-23/h3-13,15-16,19,25,28-30H,14,17-18H2,1-2H3/t19-,25+/m1/s1
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n/an/an/an/a 100n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160817
PNG
(CHEMBL181964 | Methanesulfonic acid 3-((R)-2-{(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC(C)=C)c1
Show InChI InChI=1S/C24H31N3O4S/c1-16(2)13-26-20-8-5-7-18(12-20)22(28)15-25-17(3)11-19-14-27-24-21(19)9-6-10-23(24)31-32(4,29)30/h5-10,12,14,17,22,25-28H,1,11,13,15H2,2-4H3/t17-,22+/m1/s1
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n/an/an/an/a 1.5n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160816
PNG
(CHEMBL425161 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C\C=C\CNc1cccc(c1)[C@@H](O)CN[C@H](C)Cc1c[nH]c2c(OS(C)(=O)=O)cccc12
Show InChI InChI=1S/C24H31N3O4S/c1-4-5-12-25-20-9-6-8-18(14-20)22(28)16-26-17(2)13-19-15-27-24-21(19)10-7-11-23(24)31-32(3,29)30/h4-11,14-15,17,22,25-28H,12-13,16H2,1-3H3/b5-4+/t17-,22+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160824
PNG
(CHEMBL181603 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES CC\C=C\CNc1cccc(c1)[C@@H](O)CN[C@H](C)Cc1c[nH]c2c(OS(C)(=O)=O)cccc12
Show InChI InChI=1S/C25H33N3O4S/c1-4-5-6-13-26-21-10-7-9-19(15-21)23(29)17-27-18(2)14-20-16-28-25-22(20)11-8-12-24(25)32-33(3,30)31/h5-12,15-16,18,23,26-29H,4,13-14,17H2,1-3H3/b6-5+/t18-,23+/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160820
PNG
(CHEMBL182708 | Methanesulfonic acid (R)-3-{2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H29N3O5S/c1-18(14-21-16-29-26-23(21)12-7-13-25(26)35-36(2,33)34)28-17-24(31)20-10-6-11-22(15-20)30-27(32)19-8-4-3-5-9-19/h3-13,15-16,18,24,28-29,31H,14,17H2,1-2H3,(H,30,32)/t18-,24+/m1/s1
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n/an/an/an/a 69n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160814
PNG
(CHEMBL183552 | Methanesulfonic acid 3-[(R)-2-((R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C31H33N3O4S/c1-21(15-26-19-34-31-28(26)11-6-12-30(31)38-39(2,36)37)32-20-29(35)25-9-5-10-27(17-25)33-18-22-13-14-23-7-3-4-8-24(23)16-22/h3-14,16-17,19,21,29,32-35H,15,18,20H2,1-2H3/t21-,29+/m1/s1
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n/an/an/an/a 7.60n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160823
PNG
(CHEMBL181300 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC#C)c1
Show InChI InChI=1S/C23H27N3O4S/c1-4-11-24-19-8-5-7-17(13-19)21(27)15-25-16(2)12-18-14-26-23-20(18)9-6-10-22(23)30-31(3,28)29/h1,5-10,13-14,16,21,24-27H,11-12,15H2,2-3H3/t16-,21+/m1/s1
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n/an/an/an/a 9.60n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160815
PNG
(CHEMBL182689 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C)c1
Show InChI InChI=1S/C23H29N3O4S/c1-4-11-24-19-8-5-7-17(13-19)21(27)15-25-16(2)12-18-14-26-23-20(18)9-6-10-22(23)30-31(3,28)29/h4-10,13-14,16,21,24-27H,1,11-12,15H2,2-3H3/t16-,21+/m1/s1
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n/an/an/an/a 2.20n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160819
PNG
(CHEMBL182018 | Methanesulfonic acid 3-[(R)-2-((R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC\C=C\c2ccccc2)c1
Show InChI InChI=1S/C29H33N3O4S/c1-21(17-24-19-32-29-26(24)14-7-15-28(29)36-37(2,34)35)31-20-27(33)23-12-6-13-25(18-23)30-16-8-11-22-9-4-3-5-10-22/h3-15,18-19,21,27,30-33H,16-17,20H2,1-2H3/b11-8+/t21-,27+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160811
PNG
(CHEMBL360133 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES CC#CCNc1cccc(c1)[C@@H](O)CN[C@H](C)Cc1c[nH]c2c(OS(C)(=O)=O)cccc12
Show InChI InChI=1S/C24H29N3O4S/c1-4-5-12-25-20-9-6-8-18(14-20)22(28)16-26-17(2)13-19-15-27-24-21(19)10-7-11-23(24)31-32(3,29)30/h6-11,14-15,17,22,25-28H,12-13,16H2,1-3H3/t17-,22+/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160813
PNG
(CHEMBL182614 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C27H30N2O5S/c1-19(14-22-16-29-27-24(22)12-7-13-26(27)34-35(2,31)32)28-17-25(30)21-10-6-11-23(15-21)33-18-20-8-4-3-5-9-20/h3-13,15-16,19,25,28-30H,14,17-18H2,1-2H3/t19-,25+/m1/s1
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n/an/an/an/a 46n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160818
PNG
(CHEMBL181440 | Methanesulfonic acid (R)-3-{2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C26H29N3O6S2/c1-18(14-20-16-28-26-23(20)12-7-13-25(26)35-36(2,31)32)27-17-24(30)19-8-6-9-21(15-19)29-37(33,34)22-10-4-3-5-11-22/h3-13,15-16,18,24,27-30H,14,17H2,1-2H3/t18-,24+/m1/s1
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n/an/an/an/a 19n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Effective concentration against human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160811
PNG
(CHEMBL360133 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES CC#CCNc1cccc(c1)[C@@H](O)CN[C@H](C)Cc1c[nH]c2c(OS(C)(=O)=O)cccc12
Show InChI InChI=1S/C24H29N3O4S/c1-4-5-12-25-20-9-6-8-18(14-20)22(28)16-26-17(2)13-19-15-27-24-21(19)10-7-11-23(24)31-32(3,29)30/h6-11,14-15,17,22,25-28H,12-13,16H2,1-3H3/t17-,22+/m1/s1
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n/an/an/an/a 6.5n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160812
PNG
(CHEMBL361577 | Methanesulfonic acid 3-((R)-2-{(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(c1)N(C)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H31N3O6S2/c1-19(15-21-17-29-27-24(21)13-8-14-26(27)36-37(3,32)33)28-18-25(31)20-9-7-10-22(16-20)30(2)38(34,35)23-11-5-4-6-12-23/h4-14,16-17,19,25,28-29,31H,15,18H2,1-3H3/t19-,25+/m1/s1
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n/an/an/an/a 52n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50160814
PNG
(CHEMBL183552 | Methanesulfonic acid 3-[(R)-2-((R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C31H33N3O4S/c1-21(15-26-19-34-31-28(26)11-6-12-30(31)38-39(2,36)37)32-20-29(35)25-9-5-10-27(17-25)33-18-22-13-14-23-7-3-4-8-24(23)16-22/h3-14,16-17,19,21,29,32-35H,15,18,20H2,1-2H3/t21-,29+/m1/s1
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n/an/an/an/a 44n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-1 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160813
PNG
(CHEMBL182614 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C27H30N2O5S/c1-19(14-22-16-29-27-24(22)12-7-13-26(27)34-35(2,31)32)28-17-25(30)21-10-6-11-23(15-21)33-18-20-8-4-3-5-9-20/h3-13,15-16,19,25,28-30H,14,17-18H2,1-2H3/t19-,25+/m1/s1
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n/an/an/an/a 15n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160815
PNG
(CHEMBL182689 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C)c1
Show InChI InChI=1S/C23H29N3O4S/c1-4-11-24-19-8-5-7-17(13-19)21(27)15-25-16(2)12-18-14-26-23-20(18)9-6-10-22(23)30-31(3,28)29/h4-10,13-14,16,21,24-27H,1,11-12,15H2,2-3H3/t16-,21+/m1/s1
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n/an/an/an/a 3.20n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160819
PNG
(CHEMBL182018 | Methanesulfonic acid 3-[(R)-2-((R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC\C=C\c2ccccc2)c1
Show InChI InChI=1S/C29H33N3O4S/c1-21(17-24-19-32-29-26(24)14-7-15-28(29)36-37(2,34)35)31-20-27(33)23-12-6-13-25(18-23)30-16-8-11-22-9-4-3-5-10-22/h3-15,18-19,21,27,30-33H,16-17,20H2,1-2H3/b11-8+/t21-,27+/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160818
PNG
(CHEMBL181440 | Methanesulfonic acid (R)-3-{2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C26H29N3O6S2/c1-18(14-20-16-28-26-23(20)12-7-13-25(26)35-36(2,31)32)27-17-24(30)19-8-6-9-21(15-19)29-37(33,34)22-10-4-3-5-11-22/h3-13,15-16,18,24,27-30H,14,17H2,1-2H3/t18-,24+/m1/s1
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n/an/an/an/a 0.540n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160820
PNG
(CHEMBL182708 | Methanesulfonic acid (R)-3-{2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H29N3O5S/c1-18(14-21-16-29-26-23(21)12-7-13-25(26)35-36(2,33)34)28-17-24(31)20-10-6-11-22(15-20)30-27(32)19-8-4-3-5-9-19/h3-13,15-16,18,24,28-29,31H,14,17H2,1-2H3,(H,30,32)/t18-,24+/m1/s1
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n/an/an/an/a 160n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160816
PNG
(CHEMBL425161 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C\C=C\CNc1cccc(c1)[C@@H](O)CN[C@H](C)Cc1c[nH]c2c(OS(C)(=O)=O)cccc12
Show InChI InChI=1S/C24H31N3O4S/c1-4-5-12-25-20-9-6-8-18(14-20)22(28)16-26-17(2)13-19-15-27-24-21(19)10-7-11-23(24)31-32(3,29)30/h4-11,14-15,17,22,25-28H,12-13,16H2,1-3H3/b5-4+/t17-,22+/m1/s1
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n/an/an/an/a 1.20n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50160818
PNG
(CHEMBL181440 | Methanesulfonic acid (R)-3-{2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C26H29N3O6S2/c1-18(14-20-16-28-26-23(20)12-7-13-25(26)35-36(2,31)32)27-17-24(30)19-8-6-9-21(15-19)29-37(33,34)22-10-4-3-5-11-22/h3-13,15-16,18,24,27-30H,14,17H2,1-2H3/t18-,24+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-1 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160823
PNG
(CHEMBL181300 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC#C)c1
Show InChI InChI=1S/C23H27N3O4S/c1-4-11-24-19-8-5-7-17(13-19)21(27)15-25-16(2)12-18-14-26-23-20(18)9-6-10-22(23)30-31(3,28)29/h1,5-10,13-14,16,21,24-27H,11-12,15H2,2-3H3/t16-,21+/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160822
PNG
(CHEMBL362293 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C27H31N3O4S/c1-19(14-22-17-30-27-24(22)12-7-13-26(27)34-35(2,32)33)28-18-25(31)21-10-6-11-23(15-21)29-16-20-8-4-3-5-9-20/h3-13,15,17,19,25,28-31H,14,16,18H2,1-2H3/t19-,25+/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160817
PNG
(CHEMBL181964 | Methanesulfonic acid 3-((R)-2-{(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC(C)=C)c1
Show InChI InChI=1S/C24H31N3O4S/c1-16(2)13-26-20-8-5-7-18(12-20)22(28)15-25-17(3)11-19-14-27-24-21(19)9-6-10-23(24)31-32(4,29)30/h5-10,12,14,17,22,25-28H,1,11,13,15H2,2-4H3/t17-,22+/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160814
PNG
(CHEMBL183552 | Methanesulfonic acid 3-[(R)-2-((R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C31H33N3O4S/c1-21(15-26-19-34-31-28(26)11-6-12-30(31)38-39(2,36)37)32-20-29(35)25-9-5-10-27(17-25)33-18-22-13-14-23-7-3-4-8-24(23)16-22/h3-14,16-17,19,21,29,32-35H,15,18,20H2,1-2H3/t21-,29+/m1/s1
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n/an/an/an/a 2.90n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50160821
PNG
(CHEMBL182770 | Methanesulfonic acid 3-((R)-2-{(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1 |wU:19.21,1.0,(1.08,-.52,;1.1,1.02,;2.42,1.8,;3.76,1.02,;3.76,-.52,;5.08,-1.3,;6.43,-.52,;7.75,-1.28,;7.72,-2.83,;9.06,-3.6,;10.38,-2.83,;9.06,-5.15,;7.72,-4.37,;9.08,-.52,;9.08,1.02,;7.75,1.77,;6.43,1.02,;-.24,1.8,;-1.56,1.02,;-2.9,1.77,;-2.92,3.32,;-4.24,1,;-4.24,-.55,;-5.58,-1.32,;-6.92,-.55,;-6.92,1,;-8.24,1.77,;-9.58,1,;-10.9,1.76,;-12.23,.98,;-13.57,1.75,;-12.23,-.56,;-5.58,1.77,)|
Show InChI InChI=1S/C25H33N3O4S/c1-17(2)11-12-26-21-8-5-7-19(14-21)23(29)16-27-18(3)13-20-15-28-25-22(20)9-6-10-24(25)32-33(4,30)31/h5-11,14-15,18,23,26-29H,12-13,16H2,1-4H3/t18-,23+/m1/s1
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n/an/an/an/a 160n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-1 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50160816
PNG
(CHEMBL425161 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C\C=C\CNc1cccc(c1)[C@@H](O)CN[C@H](C)Cc1c[nH]c2c(OS(C)(=O)=O)cccc12
Show InChI InChI=1S/C24H31N3O4S/c1-4-5-12-25-20-9-6-8-18(14-20)22(28)16-26-17(2)13-19-15-27-24-21(19)10-7-11-23(24)31-32(3,29)30/h4-11,14-15,17,22,25-28H,12-13,16H2,1-3H3/b5-4+/t17-,22+/m1/s1
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n/an/an/an/a 170n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-1 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160821
PNG
(CHEMBL182770 | Methanesulfonic acid 3-((R)-2-{(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1 |wU:19.21,1.0,(1.08,-.52,;1.1,1.02,;2.42,1.8,;3.76,1.02,;3.76,-.52,;5.08,-1.3,;6.43,-.52,;7.75,-1.28,;7.72,-2.83,;9.06,-3.6,;10.38,-2.83,;9.06,-5.15,;7.72,-4.37,;9.08,-.52,;9.08,1.02,;7.75,1.77,;6.43,1.02,;-.24,1.8,;-1.56,1.02,;-2.9,1.77,;-2.92,3.32,;-4.24,1,;-4.24,-.55,;-5.58,-1.32,;-6.92,-.55,;-6.92,1,;-8.24,1.77,;-9.58,1,;-10.9,1.76,;-12.23,.98,;-13.57,1.75,;-12.23,-.56,;-5.58,1.77,)|
Show InChI InChI=1S/C25H33N3O4S/c1-17(2)11-12-26-21-8-5-7-19(14-21)23(29)16-27-18(3)13-20-15-28-25-22(20)9-6-10-24(25)32-33(4,30)31/h5-11,14-15,18,23,26-29H,12-13,16H2,1-4H3/t18-,23+/m1/s1
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n/an/an/an/a 36n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50160820
PNG
(CHEMBL182708 | Methanesulfonic acid (R)-3-{2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C27H29N3O5S/c1-18(14-21-16-29-26-23(21)12-7-13-25(26)35-36(2,33)34)28-17-24(31)20-10-6-11-22(15-20)30-27(32)19-8-4-3-5-9-19/h3-13,15-16,18,24,28-29,31H,14,17H2,1-2H3,(H,30,32)/t18-,24+/m1/s1
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n/an/an/an/a 120n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-1 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50160823
PNG
(CHEMBL181300 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC#C)c1
Show InChI InChI=1S/C23H27N3O4S/c1-4-11-24-19-8-5-7-17(13-19)21(27)15-25-16(2)12-18-14-26-23-20(18)9-6-10-22(23)30-31(3,28)29/h1,5-10,13-14,16,21,24-27H,11-12,15H2,2-3H3/t16-,21+/m1/s1
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n/an/an/an/a 45n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-1 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160825
PNG
(Benzenesulfonic acid 3-{(R)-1-hydroxy-2-[(R)-2-(7-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C26H28N2O7S2/c1-18(14-20-16-28-26-23(20)12-7-13-25(26)35-36(2,30)31)27-17-24(29)19-8-6-9-21(15-19)34-37(32,33)22-10-4-3-5-11-22/h3-13,15-16,18,24,27-29H,14,17H2,1-2H3/t18-,24+/m1/s1
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n/an/an/an/a 32n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50160824
PNG
(CHEMBL181603 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES CC\C=C\CNc1cccc(c1)[C@@H](O)CN[C@H](C)Cc1c[nH]c2c(OS(C)(=O)=O)cccc12
Show InChI InChI=1S/C25H33N3O4S/c1-4-5-6-13-26-21-10-7-9-19(15-21)23(29)17-27-18(2)14-20-16-28-25-22(20)11-8-12-24(25)32-33(3,30)31/h5-12,15-16,18,23,26-29H,4,13-14,17H2,1-3H3/b6-5+/t18-,23+/m1/s1
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n/an/an/an/a 9n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50160822
PNG
(CHEMBL362293 | Methanesulfonic acid 3-{(R)-2-[(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccccc2)c1
Show InChI InChI=1S/C27H31N3O4S/c1-19(14-22-17-30-27-24(22)12-7-13-26(27)34-35(2,32)33)28-18-25(31)21-10-6-11-23(15-21)29-16-20-8-4-3-5-9-20/h3-13,15,17,19,25,28-31H,14,16,18H2,1-2H3/t19-,25+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor


Bioorg Med Chem Lett 15: 1061-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.033
BindingDB Entry DOI: 10.7270/Q2TD9WVK
More data for this
Ligand-Target Pair