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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-3 adrenergic receptor' and Ligand = 'BDBM50487720'   
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))
BDBM50487720
PNG
(CHEMBL2260989)
Show SMILES C[C@H](Cc1cn2CCCOc3cccc1c23)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 |r|
Show InChI InChI=1S/C26H29N3O4S2/c1-18(14-20-17-29-11-5-12-33-24-9-3-8-22(20)26(24)29)27-16-23(30)19-6-2-7-21(15-19)28-35(31,32)25-10-4-13-34-25/h2-4,6-10,13,15,17-18,23,27-28,30H,5,11-12,14,16H2,1H3/t18-,23+/m1/s1
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n/an/an/an/a 1n/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