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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Beta-3 Adrenergic Receptor' and Monomerid = 50156278   
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156278
PNG
(3-Amino-N-(3-{(R)-1-hydroxy-2-[(R)-2-(7-methanesul...)
Show SMILES C[C@H](Cc1c[nH]c2c(cccc12)S(C)(=O)=O)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1
Show InChI InChI=1S/C26H30N4O5S2/c1-17(12-19-15-29-26-23(19)10-5-11-25(26)36(2,32)33)28-16-24(31)18-6-3-8-21(13-18)30-37(34,35)22-9-4-7-20(27)14-22/h3-11,13-15,17,24,28-31H,12,16,27H2,1-2H3/t17-,24+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-3 adrenergic receptor


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


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156278
PNG
(3-Amino-N-(3-{(R)-1-hydroxy-2-[(R)-2-(7-methanesul...)
Show SMILES C[C@H](Cc1c[nH]c2c(cccc12)S(C)(=O)=O)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1
Show InChI InChI=1S/C26H30N4O5S2/c1-17(12-19-15-29-26-23(19)10-5-11-25(26)36(2,32)33)28-16-24(31)18-6-3-8-21(13-18)30-37(34,35)22-9-4-7-20(27)14-22/h3-11,13-15,17,24,28-31H,12,16,27H2,1-2H3/t17-,24+/m1/s1
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20n/an/an/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Binding inhibition constant was determined by inhibition of [125I]iodocyanopindolol binding to Beta-2 adrenergic receptor


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


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156278
PNG
(3-Amino-N-(3-{(R)-1-hydroxy-2-[(R)-2-(7-methanesul...)
Show SMILES C[C@H](Cc1c[nH]c2c(cccc12)S(C)(=O)=O)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1
Show InChI InChI=1S/C26H30N4O5S2/c1-17(12-19-15-29-26-23(19)10-5-11-25(26)36(2,32)33)28-16-24(31)18-6-3-8-21(13-18)30-37(34,35)22-9-4-7-20(27)14-22/h3-11,13-15,17,24,28-31H,12,16,27H2,1-2H3/t17-,24+/m1/s1
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PubMed
n/an/an/an/a 0.470n/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)


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156278
PNG
(3-Amino-N-(3-{(R)-1-hydroxy-2-[(R)-2-(7-methanesul...)
Show SMILES C[C@H](Cc1c[nH]c2c(cccc12)S(C)(=O)=O)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1
Show InChI InChI=1S/C26H30N4O5S2/c1-17(12-19-15-29-26-23(19)10-5-11-25(26)36(2,32)33)28-16-24(31)18-6-3-8-21(13-18)30-37(34,35)22-9-4-7-20(27)14-22/h3-11,13-15,17,24,28-31H,12,16,27H2,1-2H3/t17-,24+/m1/s1
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Article
PubMed
n/an/an/an/a 13n/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-2 adrenergic receptor


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


Article DOI: 10.1016/j.bmcl.2004.09.054
BindingDB Entry DOI: 10.7270/Q2BZ65HF
More data for this
Ligand-Target Pair