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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 = 'BDBM50148517'   
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))
BDBM50148517
PNG
((S)-N-[4-(2-Dimethylamino-ethoxy)-phenyl]-2-[(R)-2...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C29H38N4O7S/c1-29(21-7-11-23(39-4)12-8-21,28(36)31-22-9-13-24(14-10-22)40-17-16-33(2)3)30-19-27(35)20-6-15-26(34)25(18-20)32-41(5,37)38/h6-15,18,27,30,32,34-35H,16-17,19H2,1-5H3,(H,31,36)/t27-,29-/m0/s1
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Article
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260n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair