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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 = 'BDBM50451960'   
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))
BDBM50451960
PNG
(CHEMBL2111776)
Show SMILES COc1ccc(cc1)[C@@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(N)=O
Show InChI InChI=1S/C18H23N3O6S/c1-27-13-6-3-11(4-7-13)17(18(19)24)20-10-16(23)12-5-8-15(22)14(9-12)21-28(2,25)26/h3-9,16-17,20-23H,10H2,1-2H3,(H2,19,24)/t16-,17+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.41E+4n/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