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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-adrenergic receptor' and Ligand = 'BDBM50010556'   
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-adrenergic receptor


(Mus musculus)
BDBM50010556
PNG
(6-[2-Hydroxy-3-(naphthalen-1-yloxy)-propylamino]-h...)
Show SMILES C[C@@H](CCCCC(=O)Nc1ccc(C)cc1)NC[C@@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C27H34N2O3/c1-20-14-16-23(17-15-20)29-27(31)13-6-3-8-21(2)28-18-24(30)19-32-26-12-7-10-22-9-4-5-11-25(22)26/h4-5,7,9-12,14-17,21,24,28,30H,3,6,8,13,18-19H2,1-2H3,(H,29,31)/t21-,24+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
1.95E+5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ki value was determined by accumulation of c-AMP in S-49 mouse lymphoma cells (Beta2).


J Med Chem 33: 216-23 (1990)


Article DOI: 10.1021/jm00163a036
BindingDB Entry DOI: 10.7270/Q2M32TQB
More data for this
Ligand-Target Pair