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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 = 'BDBM50098653'   
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))		BDBM50098653
PNG
(CHEMBL284612 | N-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-m...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(NC(=O)CC(O)=O)cc1
Show InChI InChI=1S/C23H30N4O7S/c1-35(33,34)26-19-12-15(2-7-20(19)28)21(29)14-24-16-8-10-27(11-9-16)18-5-3-17(4-6-18)25-22(30)13-23(31)32/h2-7,12,16,21,24,26,28-29H,8-11,13-14H2,1H3,(H,25,30)(H,31,32)/t21-/m0/s1
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n/an/an/an/a 130n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.

J Med Chem 44: 1456-66 (2001)


BindingDB Entry DOI: 10.7270/Q2T72J53
More data for this
Ligand-Target Pair