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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50156252'   
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))
BDBM50156252
PNG
(CHEMBL185836 | Thiophene-2-sulfonic acid (3-{(R)-1...)
Show SMILES C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C23H25N3O3S2/c1-16(12-18-14-25-21-9-3-2-8-20(18)21)24-15-22(27)17-6-4-7-19(13-17)26-31(28,29)23-10-5-11-30-23/h2-11,13-14,16,22,24-27H,12,15H2,1H3/t16-,22+/m1/s1
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30n/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: 5959-62 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156252
PNG
(CHEMBL185836 | Thiophene-2-sulfonic acid (3-{(R)-1...)
Show SMILES C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C23H25N3O3S2/c1-16(12-18-14-25-21-9-3-2-8-20(18)21)24-15-22(27)17-6-4-7-19(13-17)26-31(28,29)23-10-5-11-30-23/h2-11,13-14,16,22,24-27H,12,15H2,1H3/t16-,22+/m1/s1
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PubMed
n/an/an/an/a 0.880n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at Homo sapiens (human) beta3 adrenoreceptor


Med Chem Res 19: 1121-1140 (2010)


Article DOI: 10.1007/s00044-009-9257-x
BindingDB Entry DOI: 10.7270/Q2057JTC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50156252
PNG
(CHEMBL185836 | Thiophene-2-sulfonic acid (3-{(R)-1...)
Show SMILES C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C23H25N3O3S2/c1-16(12-18-14-25-21-9-3-2-8-20(18)21)24-15-22(27)17-6-4-7-19(13-17)26-31(28,29)23-10-5-11-30-23/h2-11,13-14,16,22,24-27H,12,15H2,1H3/t16-,22+/m1/s1
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Article
PubMed
n/an/an/an/a 0.880n/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)


Article DOI: 10.1016/j.bmcl.2004.10.035
BindingDB Entry DOI: 10.7270/Q2GQ6X7S
More data for this
Ligand-Target Pair