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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 = 'BDBM50148488'   
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))
BDBM50148488
PNG
((S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfony...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C26H31N3O7S/c1-26(18-10-12-19(35-2)13-11-18,25(32)28-20-7-5-6-8-24(20)36-3)27-16-23(31)17-9-14-22(30)21(15-17)29-37(4,33)34/h5-15,23,27,29-31H,16H2,1-4H3,(H,28,32)/t23-,26-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
3.10E+3n/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