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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50232754'   
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-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50232754
PNG
(CHEMBL4079127)
Show SMILES CCOC(=O)c1cc(\C=C\c2sc3ccccc3[n+]2C)c2sc3ccccc3n12
Show InChI InChI=1S/C23H19N2O2S2/c1-3-27-23(26)18-14-15(22-25(18)17-9-5-7-11-20(17)29-22)12-13-21-24(2)16-8-4-6-10-19(16)28-21/h4-14H,3H2,1-2H3/q+1
PDB
MMDB

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Similars

Article
PubMed
n/an/an/a 891n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method


ACS Med Chem Lett 8: 481-485 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00363
BindingDB Entry DOI: 10.7270/Q2WM1GNK
More data for this
Ligand-Target Pair