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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 = 'BDBM50106811'   
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))		BDBM50106811
PNG
(2-[(R)-2-Hydroxy-2-(4-hydroxy-3-methanesulfonylami...)
Show SMILES COc1ccc(cc1)C(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(N)=O)c1ccc(OC)cc1
Show InChI InChI=1S/C25H29N3O7S/c1-34-19-9-5-17(6-10-19)25(24(26)31,18-7-11-20(35-2)12-8-18)27-15-23(30)16-4-13-22(29)21(14-16)28-36(3,32)33/h4-14,23,27-30H,15H2,1-3H3,(H2,26,31)/t23-/m0/s1
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 220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against CHO cells transfected with human beta-3 adrenergic receptor in the presence of [125I]iodocyanopindolol

Bioorg Med Chem Lett 11: 3035-9 (2001)


BindingDB Entry DOI: 10.7270/Q2MS3T97
More data for this
Ligand-Target Pair