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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 = 'BDBM50148510'   
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))
BDBM50148510
PNG
((S)-N-(3,4-Dimethoxy-phenyl)-2-[2-hydroxy-2-((R)-4...)
Show SMILES COc1ccc(cc1)[C@](C)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)Nc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H33N3O8S/c1-27(18-7-10-20(36-2)11-8-18,26(33)29-19-9-13-24(37-3)25(15-19)38-4)28-16-23(32)17-6-12-22(31)21(14-17)30-39(5,34)35/h6-15,23,28,30-32H,16H2,1-5H3,(H,29,33)/t23-,27-/m0/s1
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PC cid
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Article
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46n/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