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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' AND taxid = 9615   
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


(Canis familiaris)
BDBM50236185
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 2.90n/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


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


(Canis familiaris)
BDBM50146154
PNG
(KRP-114V | MK-4618 | VIBEGRON | Vibegron)
KEGG

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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Citation and Details
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


Citation and Details
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


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


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



Astellas Pharma Inc.

Curated by ChEMBL


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


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


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



Astellas Pharma Inc.

Curated by ChEMBL


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


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


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



Astellas Pharma Inc.

Curated by ChEMBL


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


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


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



Astellas Pharma Inc.

Curated by ChEMBL


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


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


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



Astellas Pharma Inc

Curated by ChEMBL


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


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


(Canis familiaris)
BDBM50273113
PNG
(4-((S)-7-((R)-2-(4-chlorophenyl)-2-hydroxyethylami...)
Show SMILES O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClNO3/c26-22-10-7-18(8-11-22)24(28)15-27-23-12-9-17-3-6-20(13-21(17)14-23)16-1-4-19(5-2-16)25(29)30/h1-8,10-11,13,23-24,27-28H,9,12,14-15H2,(H,29,30)/t23-,24-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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


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


(Canis familiaris)
BDBM50273079
PNG
(5-[((7S)-7-{[(2R)-2-(6-Chloro-3-pyridinyl)-2-hydro...)
Show SMILES COc1ccc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2ccc(Cl)nc2)cc1C(O)=O
Show InChI InChI=1S/C25H25ClN2O5/c1-32-23-8-7-20(12-21(23)25(30)31)33-19-6-3-15-2-5-18(10-17(15)11-19)27-14-22(29)16-4-9-24(26)28-13-16/h3-4,6-9,11-13,18,22,27,29H,2,5,10,14H2,1H3,(H,30,31)/t18-,22-/m0/s1
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n/an/an/an/a 46n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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


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


(Canis familiaris)
BDBM50264675
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O
Show InChI InChI=1S/C26H28ClNO5/c1-17(2)32-25-10-9-22(15-23(25)26(30)31)33-21-8-3-5-18(13-21)11-12-28-16-24(29)19-6-4-7-20(27)14-19/h3-10,13-15,17,24,28-29H,11-12,16H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


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


(Canis familiaris)
BDBM50264709
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(O)=O
Show InChI InChI=1S/C28H31ClN2O5/c1-28(2,3)27(35)31-24-11-10-22(16-23(24)26(33)34)36-21-9-4-6-18(14-21)12-13-30-17-25(32)19-7-5-8-20(29)15-19/h4-11,14-16,25,30,32H,12-13,17H2,1-3H3,(H,31,35)(H,33,34)/t25-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


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


(Canis familiaris)
BDBM50264587
PNG
((R)-5-(3-(2-(2-(3-chlorophenyl)-2-hydroxyethylamin...)
Show SMILES O[C@@H](CNCCc1cccc(Oc2ccc(N3CCCC3=O)c(c2)C(O)=O)c1)c1cccc(Cl)c1
Show InChI InChI=1S/C27H27ClN2O5/c28-20-6-2-5-19(15-20)25(31)17-29-12-11-18-4-1-7-21(14-18)35-22-9-10-24(23(16-22)27(33)34)30-13-3-8-26(30)32/h1-2,4-7,9-10,14-16,25,29,31H,3,8,11-13,17H2,(H,33,34)/t25-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


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


(Canis familiaris)
BDBM50277531
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...)
Show SMILES CC(C)Cc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C28H34N2O4S/c1-20(2)17-25-18-24(13-14-26(25)28(32)30-35(3,33)34)22-11-9-21(10-12-22)15-16-29-19-27(31)23-7-5-4-6-8-23/h4-14,18,20,27,29,31H,15-17,19H2,1-3H3,(H,30,32)/t27-/m0/s1
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n/an/an/an/a 0.880n/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 immunoassay


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


(Canis familiaris)
BDBM50277506
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...)
Show SMILES CC(C)Sc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O4S2/c1-19(2)34-26-17-23(13-14-24(26)27(31)29-35(3,32)33)21-11-9-20(10-12-21)15-16-28-18-25(30)22-7-5-4-6-8-22/h4-14,17,19,25,28,30H,15-16,18H2,1-3H3,(H,29,31)/t25-/m0/s1
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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 immunoassay


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


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


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


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


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


(Canis familiaris)
BDBM50236184
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-(...)
Show SMILES CC(C)Sc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3S/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
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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 immunoassay


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


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



Astellas Pharma Inc.

Curated by ChEMBL


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


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


(Canis familiaris)
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 3.20n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


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


(Canis familiaris)
BDBM50277476
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...)
Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O5S/c1-19(2)34-26-17-23(13-14-24(26)27(31)29-35(3,32)33)21-11-9-20(10-12-21)15-16-28-18-25(30)22-7-5-4-6-8-22/h4-14,17,19,25,28,30H,15-16,18H2,1-3H3,(H,29,31)/t25-/m0/s1
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n/an/an/an/a 4.90n/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 immunoassay


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


(Canis familiaris)
BDBM50277503
PNG
(3-(Cyclohexyloxy)-4'-(2-{[(2R)-2-hydroxy-2-phenyle...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C30H36N2O5S/c1-38(35,36)32-30(34)27-17-16-25(20-29(27)37-26-10-6-3-7-11-26)23-14-12-22(13-15-23)18-19-31-21-28(33)24-8-4-2-5-9-24/h2,4-5,8-9,12-17,20,26,28,31,33H,3,6-7,10-11,18-19,21H2,1H3,(H,32,34)/t28-/m0/s1
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n/an/an/an/a 0.830n/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 immunoassay


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


(Canis familiaris)
BDBM50277504
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1Oc1ccccc1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C30H30N2O5S/c1-38(35,36)32-30(34)27-17-16-25(20-29(27)37-26-10-6-3-7-11-26)23-14-12-22(13-15-23)18-19-31-21-28(33)24-8-4-2-5-9-24/h2-17,20,28,31,33H,18-19,21H2,1H3,(H,32,34)/t28-/m0/s1
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n/an/an/an/a 2.90n/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 immunoassay


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


(Canis familiaris)
BDBM50277529
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...)
Show SMILES CC(C)Nc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H33N3O4S/c1-19(2)29-25-17-23(13-14-24(25)27(32)30-35(3,33)34)21-11-9-20(10-12-21)15-16-28-18-26(31)22-7-5-4-6-8-22/h4-14,17,19,26,28-29,31H,15-16,18H2,1-3H3,(H,30,32)/t26-/m0/s1
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n/an/an/an/a 1.10n/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 immunoassay


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


(Canis familiaris)
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 1.40n/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 immunoassay


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


(Canis familiaris)
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 1.30n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


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


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



Astellas Pharma Inc.

Curated by ChEMBL


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


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


(Canis familiaris)
BDBM50236185
PNG
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)
Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/t24-/m0/s1
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n/an/an/an/a 2.90n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


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


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



Astellas Pharma Inc.

Curated by ChEMBL


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


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


(Canis familiaris)
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 1n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


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


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


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


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


(Canis familiaris)
BDBM50249637
PNG
(4'-(2-{[(2R)-2-(4-Aminophenyl)-2-hydroxyethyl]amin...)
Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C27H33N3O5S/c1-18(2)35-26-16-22(10-13-24(26)27(32)30-36(3,33)34)20-6-4-19(5-7-20)14-15-29-17-25(31)21-8-11-23(28)12-9-21/h4-13,16,18,25,29,31H,14-15,17,28H2,1-3H3,(H,30,32)/t25-/m0/s1
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n/an/an/an/a 2.5n/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 immunoassay


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


(Canis familiaris)
BDBM50249638
PNG
(4'-(2-{[(2R)-2-(4-Aminophenyl)-2-hydroxyethyl]amin...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C30H37N3O5S/c1-39(36,37)33-30(35)27-16-13-24(19-29(27)38-26-5-3-2-4-6-26)22-9-7-21(8-10-22)17-18-32-20-28(34)23-11-14-25(31)15-12-23/h7-16,19,26,28,32,34H,2-6,17-18,20,31H2,1H3,(H,33,35)/t28-/m0/s1
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n/an/an/an/a 1n/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 immunoassay


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


(Canis familiaris)
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 10n/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 immunoassay


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


(Canis familiaris)
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 0.190n/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Agonist activity at dog beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 mins by ti...


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


(Canis familiaris)
BDBM50448789
PNG
(CHEMBL3128188)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4ccnn34)cc2)N1)c1cccnc1
Show InChI InChI=1S/C24H27N5O2/c30-23(17-2-1-12-25-15-17)21-9-7-19(27-21)14-16-3-5-18(6-4-16)28-24(31)22-10-8-20-11-13-26-29(20)22/h1-6,11-13,15,19,21-23,27,30H,7-10,14H2,(H,28,31)/t19-,21+,22-,23+/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Agonist activity at dog beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 mins by ti...


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


(Canis familiaris)
BDBM50448787
PNG
(CHEMBL3128178)
Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NC(=O)[C@@H]3CCc4scnc34)cc2)N1)c1cccnc1
Show InChI InChI=1S/C24H26N4O2S/c29-23(16-2-1-11-25-13-16)20-9-7-18(27-20)12-15-3-5-17(6-4-15)28-24(30)19-8-10-21-22(19)26-14-31-21/h1-6,11,13-14,18-20,23,27,29H,7-10,12H2,(H,28,30)/t18-,19+,20+,23+/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Merck and Co.

Curated by ChEMBL


Assay Description
Agonist activity at dog beta-3 adrenergic receptor expressed in CHO cells assessed as increase in intracellular cAMP accumulation after 30 mins by ti...


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


(Canis familiaris)
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 1.30n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


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


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


(Canis familiaris)
BDBM50277503
PNG
(3-(Cyclohexyloxy)-4'-(2-{[(2R)-2-hydroxy-2-phenyle...)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C30H36N2O5S/c1-38(35,36)32-30(34)27-17-16-25(20-29(27)37-26-10-6-3-7-11-26)23-14-12-22(13-15-23)18-19-31-21-28(33)24-8-4-2-5-9-24/h2,4-5,8-9,12-17,20,26,28,31,33H,3,6-7,10-11,18-19,21H2,1H3,(H,32,34)/t28-/m0/s1
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n/an/an/an/a 0.830n/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 immunoassay


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


(Canis familiaris)
BDBM50277476
PNG
(4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...)
Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O5S/c1-19(2)34-26-17-23(13-14-24(26)27(31)29-35(3,32)33)21-11-9-20(10-12-21)15-16-28-18-25(30)22-7-5-4-6-8-22/h4-14,17,19,25,28,30H,15-16,18H2,1-3H3,(H,29,31)/t25-/m0/s1
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n/an/an/an/a 4.90n/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 immunoassay


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


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



Astellas Pharma Inc.

Curated by ChEMBL


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


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


(Canis familiaris)
BDBM50092645
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-9-5-22(6-10-25)28-20-42-30(37-28)23-7-13-27(14-8-23)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




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


(Canis familiaris)
BDBM50146156
PNG
(CHEMBL3764088)
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n/an/an/an/a 47n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




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


(Canis familiaris)
BDBM50146160
PNG
(CHEMBL3765335)
KEGG

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n/an/an/an/a 39n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




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


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



Astellas Pharma Inc.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair