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Compile Data Set for Download or QSAR

Found 1384 hits of ec50 data for polymerid = 2890,50006501   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50126069
PNG
((3-{2-[(R)-2-((R)-3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES C[C@H](Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN2O4/c1-13(23-11-18(25)14-4-2-5-16(22)9-14)8-15-10-24-21-17(15)6-3-7-19(21)28-12-20(26)27/h2-7,9-10,13,18,23-25H,8,11-12H2,1H3,(H,26,27)/t13-,18+/m1/s1
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PubMed
n/an/an/an/a 0.0160n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity against human Beta-3 adrenergic receptor as cAMP accumulation in CHO cells expressing beta3-AR


Bioorg Med Chem Lett 13: 1301-5 (2003)

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


(Homo sapiens (human))
BDBM50328301
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C27H30N4O4S/c32-14-19-12-22(6-7-24(19)34)35-15-21(33)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20-21,28,32-34H,8-11,13-15H2
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n/an/an/an/a 0.0200n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)

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


(Homo sapiens (human))
BDBM50249662
PNG
(4'-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethy...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1
Show InChI InChI=1S/C29H36N4O5S/c1-39(36,37)33-29(35)24-12-11-22(17-28(24)38-23-5-3-2-4-6-23)21-9-7-20(8-10-21)13-15-32-19-27(34)25-18-31-16-14-26(25)30/h7-12,14,16-18,23,27,32,34H,2-6,13,15,19H2,1H3,(H2,30,31)(H,33,35)/t27-/m0/s1
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n/an/an/an/a 0.0290n/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))
BDBM50249662
PNG
(4'-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethy...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1
Show InChI InChI=1S/C29H36N4O5S/c1-39(36,37)33-29(35)24-12-11-22(17-28(24)38-23-5-3-2-4-6-23)21-9-7-20(8-10-21)13-15-32-19-27(34)25-18-31-16-14-26(25)30/h7-12,14,16-18,23,27,32,34H,2-6,13,15,19H2,1H3,(H2,30,31)(H,33,35)/t27-/m0/s1
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n/an/an/an/a 0.0290n/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))
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 0.0350n/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))
BDBM50277527
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES Nc1ccncc1[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1
Show InChI InChI=1S/C28H33N3O4/c29-25-13-15-30-17-24(25)26(32)18-31-14-12-19-6-8-20(9-7-19)21-10-11-23(28(33)34)27(16-21)35-22-4-2-1-3-5-22/h6-11,13,15-17,22,26,31-32H,1-5,12,14,18H2,(H2,29,30)(H,33,34)/t26-/m0/s1
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n/an/an/an/a 0.0350n/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))
BDBM50328300
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES COCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C28H32N4O4S/c1-35-15-20-13-23(7-8-25(20)34)36-16-22(33)14-29-21-9-11-32(12-10-21)27-26-24(19-5-3-2-4-6-19)17-37-28(26)31-18-30-27/h2-8,13,17-18,21-22,29,33-34H,9-12,14-16H2,1H3
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n/an/an/an/a 0.0400n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)

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))
BDBM50243298
PNG
(4-((2R)-2-{[(2R)-2-Phenyl-2-hydroxyethyl]amino}pro...)
Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)NC[C@H](O)c1ccccc1
Show InChI InChI=1S/C30H35NO4/c1-21(31-20-28(32)24-8-4-2-5-9-24)18-22-12-14-23(15-13-22)25-16-17-27(30(33)34)29(19-25)35-26-10-6-3-7-11-26/h2,4-5,8-9,12-17,19,21,26,28,31-32H,3,6-7,10-11,18,20H2,1H3,(H,33,34)/t21-,28+/m1/s1
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n/an/an/an/a 0.0420n/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))
BDBM50296966
PNG
(4'-(2-((1R,2S)-1-hydroxy-1-(3-hydroxyphenyl)propan...)
Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2cccc(O)c2)cc1
Show InChI InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-22(12-13-25(26)28(33)30-37(4,34)35)21-10-8-20(9-11-21)14-15-29-19(3)27(32)23-6-5-7-24(31)16-23/h5-13,16-19,27,29,31-32H,14-15H2,1-4H3,(H,30,33)/t19-,27-/m0/s1
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n/an/an/an/a 0.0440n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...


Bioorg Med Chem Lett 19: 4679-83 (2009)

More data for this
Ligand-Target Pair
Beta-3 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 0.0590n/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


(Macaca mulatta)
BDBM50448786
PNG
(CHEMBL3128194)
Show SMILES Nc1nc2[C@@H](CCc2s1)C(=O)Nc1ccc(C[C@@H]2CC[C@@H](N2)[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N4O2S/c26-25-29-22-19(11-13-21(22)32-25)24(31)28-17-8-6-15(7-9-17)14-18-10-12-20(27-18)23(30)16-4-2-1-3-5-16/h1-9,18-20,23,27,30H,10-14H2,(H2,26,29)(H,28,31)/t18-,19+,20+,23+/m0/s1
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n/an/an/an/a 0.0600n/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Agonist activity at rhesus monkey beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 ...


J Med Chem 57: 1437-53 (2014)

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


(Homo sapiens (human))
BDBM50073053
PNG
((2-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES O[C@@H](CNCCc1cc2cccc(OCC(O)=O)c2[nH]1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H21ClN2O4/c21-15-5-1-3-13(9-15)17(24)11-22-8-7-16-10-14-4-2-6-18(20(14)23-16)27-12-19(25)26/h1-6,9-10,17,22-24H,7-8,11-12H2,(H,25,26)/t17-/m0/s1
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n/an/an/an/a 0.0600n/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)

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


(Homo sapiens (human))
BDBM50277534
PNG
(3-(Cyclohexylamino)-4'-(2-{[(2R)-2-hydroxy-2-pyrid...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1NC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H36N4O4S/c1-38(36,37)33-29(35)26-14-13-23(18-27(26)32-25-7-3-2-4-8-25)22-11-9-21(10-12-22)15-17-31-20-28(34)24-6-5-16-30-19-24/h5-6,9-14,16,18-19,25,28,31-32,34H,2-4,7-8,15,17,20H2,1H3,(H,33,35)/t28-/m0/s1
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n/an/an/an/a 0.0620n/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))
BDBM50242836
PNG
(4-(2-{[(2R)-2-Hydroxy-2-(3-hydroxyphenyl)ethyl]ami...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(O)c2)cc1
Show InChI InChI=1S/C26H29NO5/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-27-16-24(29)21-4-3-5-22(28)14-21/h3-11,14-15,17,24,27-29H,12-13,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 0.0620n/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))
BDBM50126069
PNG
((3-{2-[(R)-2-((R)-3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES C[C@H](Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN2O4/c1-13(23-11-18(25)14-4-2-5-16(22)9-14)8-15-10-24-21-17(15)6-3-7-19(21)28-12-20(26)27/h2-7,9-10,13,18,23-25H,8,11-12H2,1H3,(H,26,27)/t13-,18+/m1/s1
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n/an/an/an/a 0.0620n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonism of recombinant human beta-3 adrenergic receptor assayed by measuring cAMP accumulation in CHO cells expressing beta3-AR


Bioorg Med Chem Lett 13: 1301-5 (2003)

More data for this
Ligand-Target Pair
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 0.0640n/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))
BDBM50277526
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1
Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-21-14-20(7-8-22(21)26(31)32)19-5-3-18(4-6-19)9-11-29-16-25(30)23-15-28-12-10-24(23)27/h3-8,10,12,14-15,17,25,29-30H,9,11,13,16H2,1-2H3,(H2,27,28)(H,31,32)/t25-/m0/s1
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n/an/an/an/a 0.0660n/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))
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 0.0660n/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))
BDBM50243393
PNG
(3-(Cyclohexyloxy)-4-((2R)-2-{[(2R)-2-hydroxy-2-(3-...)
Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)NC[C@H](O)c1cccnc1
Show InChI InChI=1S/C29H34N2O4/c1-20(31-19-27(32)24-6-5-15-30-18-24)16-21-9-11-22(12-10-21)23-13-14-26(29(33)34)28(17-23)35-25-7-3-2-4-8-25/h5-6,9-15,17-18,20,25,27,31-32H,2-4,7-8,16,19H2,1H3,(H,33,34)/t20-,27+/m1/s1
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n/an/an/an/a 0.0690n/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))
BDBM50249663
PNG
(4'-[2-[[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethy...)
Show SMILES CC(C)Sc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1
Show InChI InChI=1S/C26H32N4O4S2/c1-17(2)35-25-14-20(8-9-21(25)26(32)30-36(3,33)34)19-6-4-18(5-7-19)10-12-29-16-24(31)22-15-28-13-11-23(22)27/h4-9,11,13-15,17,24,29,31H,10,12,16H2,1-3H3,(H2,27,28)(H,30,32)/t24-/m0/s1
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n/an/an/an/a 0.0800n/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))
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))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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n/an/an/an/a 0.0950n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity against human Beta-3 adrenergic receptor as cAMP accumulation in CHO cells expressing beta3-AR


Bioorg Med Chem Lett 13: 1301-5 (2003)

More data for this
Ligand-Target Pair
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 0.0990n/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))
BDBM50002608
PNG
(CHEMBL207943)
Show SMILES O[C@@H](CNCCNc1cccc(c1)-c1cnccc1C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O3/c23-17-5-1-4-16(11-17)21(27)14-25-9-10-26-18-6-2-3-15(12-18)20-13-24-8-7-19(20)22(28)29/h1-8,11-13,21,25-27H,9-10,14H2,(H,28,29)/t21-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

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


(Homo sapiens (human))
BDBM50296958
PNG
(4'-((R)-2-((R)-2-hydroxy-2-phenylethylamino)propyl...)
Show SMILES CC(C)Cc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C29H36N2O4S/c1-20(2)16-26-18-25(14-15-27(26)29(33)31-36(4,34)35)23-12-10-22(11-13-23)17-21(3)30-19-28(32)24-8-6-5-7-9-24/h5-15,18,20-21,28,30,32H,16-17,19H2,1-4H3,(H,31,33)/t21-,28+/m1/s1
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n/an/an/an/a 0.100n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...


Bioorg Med Chem Lett 19: 4679-83 (2009)

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


(Homo sapiens (human))
BDBM50002599
PNG
(CHEMBL205224)
Show SMILES C[C@H](CNc1cccc(c1)-c1cccc(c1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O3/c1-16(26-15-23(28)19-7-3-9-21(25)12-19)14-27-22-10-4-6-18(13-22)17-5-2-8-20(11-17)24(29)30/h2-13,16,23,26-28H,14-15H2,1H3,(H,29,30)/t16-,23+/m1/s1
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n/an/an/an/a 0.100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

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


(Homo sapiens (human))
BDBM50126078
PNG
((3-{2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamin...)
Show SMILES CC(Cc1c[nH]c2c(OCC(O)=O)cccc12)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN2O4/c1-13(23-11-18(25)14-4-2-5-16(22)9-14)8-15-10-24-21-17(15)6-3-7-19(21)28-12-20(26)27/h2-7,9-10,13,18,23-25H,8,11-12H2,1H3,(H,26,27)/t13?,18-/m0/s1
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n/an/an/an/a 0.110n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonism of recombinant human beta-3 adrenergic receptor assayed by measuring cAMP accumulation in CHO cells expressing beta3-AR


Bioorg Med Chem Lett 13: 1301-5 (2003)

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


(Homo sapiens (human))
BDBM50277509
PNG
(3-(Cyclohexyloxy)-4'-(2-{[(2R)-2-hydroxy-2-pyridin...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H35N3O5S/c1-38(35,36)32-29(34)26-14-13-23(18-28(26)37-25-7-3-2-4-8-25)22-11-9-21(10-12-22)15-17-31-20-27(33)24-6-5-16-30-19-24/h5-6,9-14,16,18-19,25,27,31,33H,2-4,7-8,15,17,20H2,1H3,(H,32,34)/t27-/m0/s1
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n/an/an/an/a 0.130n/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))
BDBM50249640
PNG
(4'-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethy...)
Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1
Show InChI InChI=1S/C26H32N4O5S/c1-17(2)35-25-14-20(8-9-21(25)26(32)30-36(3,33)34)19-6-4-18(5-7-19)10-12-29-16-24(31)22-15-28-13-11-23(22)27/h4-9,11,13-15,17,24,29,31H,10,12,16H2,1-3H3,(H2,27,28)(H,30,32)/t24-/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 immunoassay


J Med Chem 52: 3063-72 (2009)

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


(Homo sapiens (human))
BDBM50243344
PNG
(4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]am...)
Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C28H33NO3/c1-19(2)17-25-18-24(13-14-26(25)28(31)32)22-11-9-21(10-12-22)15-16-29-20(3)27(30)23-7-5-4-6-8-23/h4-14,18-20,27,29-30H,15-17H2,1-3H3,(H,31,32)/t20-,27-/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))
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))
BDBM50249640
PNG
(4'-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethy...)
Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1
Show InChI InChI=1S/C26H32N4O5S/c1-17(2)35-25-14-20(8-9-21(25)26(32)30-36(3,33)34)19-6-4-18(5-7-19)10-12-29-16-24(31)22-15-28-13-11-23(22)27/h4-9,11,13-15,17,24,29,31H,10,12,16H2,1-3H3,(H2,27,28)(H,30,32)/t24-/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 immunoassay


J Med Chem 52: 3063-72 (2009)

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


(Homo sapiens (human))
BDBM50328298
PNG
(2-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...)
Show SMILES CCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-23(8-9-25(19)34)35-16-22(33)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21-22,29,33-34H,2,10-13,15-16H2,1H3
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n/an/an/an/a 0.140n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta3 receptor expressed in CHO cells assessed as cyclic AMP formation by HTRF assay


Bioorg Med Chem Lett 20: 6108-15 (2010)

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


(Homo sapiens (human))
BDBM50277530
PNG
(3-(Cyclohexylamino)-4'-(2-{[(2R)-2-hydroxy-2-pheny...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1NC1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O4S/c1-38(36,37)33-30(35)27-17-16-25(20-28(27)32-26-10-6-3-7-11-26)23-14-12-22(13-15-23)18-19-31-21-29(34)24-8-4-2-5-9-24/h2,4-5,8-9,12-17,20,26,29,31-32,34H,3,6-7,10-11,18-19,21H2,1H3,(H,33,35)/t29-/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 immunoassay


J Med Chem 52: 3063-72 (2009)

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


(Homo sapiens (human))
BDBM50126071
PNG
((R)-1-((R)-3-Chloro-phenyl)-2-[2-(7-methoxy-1H-ind...)
Show SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
Show InChI InChI=1S/C20H23ClN2O2/c1-13(22-12-18(24)14-5-3-6-16(21)10-14)9-15-11-23-20-17(15)7-4-8-19(20)25-2/h3-8,10-11,13,18,22-24H,9,12H2,1-2H3/t13-,18+/m1/s1
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n/an/an/an/a 0.150n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity against human Beta-3 adrenergic receptor as cAMP accumulation in CHO cells expressing beta3-AR


Bioorg Med Chem Lett 13: 1301-5 (2003)

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


(Homo sapiens (human))
BDBM50296957
PNG
(4'-(2-((1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan...)
Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-23(11-14-25(26)28(33)30-37(4,34)35)21-7-5-20(6-8-21)15-16-29-19(3)27(32)22-9-12-24(31)13-10-22/h5-14,17-19,27,29,31-32H,15-16H2,1-4H3,(H,30,33)/t19-,27-/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 adrenergic beta3 receptor expressed in CHO cells assessed as stimulation of cAMP level after 1 hr by enzyme imm...


Bioorg Med Chem Lett 19: 4679-83 (2009)

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


(Homo sapiens (human))
BDBM50296957
PNG
(4'-(2-((1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan...)
Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-23(11-14-25(26)28(33)30-37(4,34)35)21-7-5-20(6-8-21)15-16-29-19(3)27(32)22-9-12-24(31)13-10-22/h5-14,17-19,27,29,31-32H,15-16H2,1-4H3,(H,30,33)/t19-,27-/m0/s1
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n/an/an/an/a 0.160n/an/an/an/a



Heptares Therapeutics Limited

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta3 receptor by radioligand binding assay


J Med Chem 54: 4283-311 (2011)

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


(Homo sapiens (human))
BDBM50243168
PNG
(4-[(2R)-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+/m1/s1
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n/an/an/an/a 0.180n/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))
BDBM50277525
PNG
((R)-4'-(2-(2-(4-aminopyridin-3-yl)-2-hydroxyethyla...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1
Show InChI InChI=1S/C25H29N3O4/c1-16(2)32-24-13-19(7-8-20(24)25(30)31)18-5-3-17(4-6-18)9-11-28-15-23(29)21-14-27-12-10-22(21)26/h3-8,10,12-14,16,23,28-29H,9,11,15H2,1-2H3,(H2,26,27)(H,30,31)/t23-/m0/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 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))
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 0.190n/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))
BDBM50243170
PNG
(4-((2R)-2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C27H30ClNO4/c1-17(2)33-26-15-21(11-12-24(26)27(31)32)20-9-7-19(8-10-20)13-18(3)29-16-25(30)22-5-4-6-23(28)14-22/h4-12,14-15,17-18,25,29-30H,13,16H2,1-3H3,(H,31,32)/t18-,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 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))
BDBM50249636
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-pyridin-3-ylethyl]amino}e...)
Show SMILES CC(C)Sc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C26H31N3O4S2/c1-18(2)34-25-15-21(10-11-23(25)26(31)29-35(3,32)33)20-8-6-19(7-9-20)12-14-28-17-24(30)22-5-4-13-27-16-22/h4-11,13,15-16,18,24,28,30H,12,14,17H2,1-3H3,(H,29,31)/t24-/m0/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 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))
BDBM50277533
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-pyridin-3-ylethyl]amino}e...)
Show SMILES CC(C)Nc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C26H32N4O4S/c1-18(2)29-24-15-21(10-11-23(24)26(32)30-35(3,33)34)20-8-6-19(7-9-20)12-14-28-17-25(31)22-5-4-13-27-16-22/h4-11,13,15-16,18,25,28-29,31H,12,14,17H2,1-3H3,(H,30,32)/t25-/m0/s1
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n/an/an/an/a 0.200n/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))
BDBM50002605
PNG
(CHEMBL206002)
Show SMILES C[C@H](CNc1cccc(c1)-c1ccc(cc1C(O)=O)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C25H25ClN2O5/c1-15(27-14-23(29)17-5-2-6-19(26)10-17)13-28-20-7-3-4-16(11-20)21-9-8-18(24(30)31)12-22(21)25(32)33/h2-12,15,23,27-29H,13-14H2,1H3,(H,30,31)(H,32,33)/t15-,23+/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-3 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

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


(Homo sapiens (human))
BDBM50156260
PNG
(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
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n/an/an/an/a 0.210n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 14: 5959-62 (2004)

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)

More data for this
Ligand-Target Pair
Beta-3 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 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)

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


(Homo sapiens (human))
BDBM50156260
PNG
(CHEMBL184407 | Methanesulfonic acid 3-(2-{(R)-(R)-...)
Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H27N3O6S3/c1-16(12-18-14-26-24-20(18)8-4-9-22(24)33-35(2,29)30)25-15-21(28)17-6-3-7-19(13-17)27-36(31,32)23-10-5-11-34-23/h3-11,13-14,16,21,25-28H,12,15H2,1-2H3/t16-,21+/m1/s1
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n/an/an/an/a 0.210n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was determined by measuring cAMP accumulation in CHO cells expressing cloned human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 14: 5963-6 (2004)

More data for this
Ligand-Target Pair
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