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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 = 'BDBM50106851'   
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))		BDBM50106851
PNG
(2-(4-{(R)-1-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanes...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1ccccc1)c1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C25H29N3O5S/c1-34(32,33)28-22-15-20(11-12-23(22)29)24(30)16-27-21(13-17-5-3-2-4-6-17)19-9-7-18(8-10-19)14-25(26)31/h2-12,15,21,24,27-30H,13-14,16H2,1H3,(H2,26,31)/t21-,24+/m1/s1
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 74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CHO cells expressing the cloned human beta-3 adrenergic receptor in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 11: 3041-4 (2001)


BindingDB Entry DOI: 10.7270/Q2794402
More data for this
Ligand-Target Pair