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PDB code 4LDE

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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

  (288/320 = 90%)
(Homo sapiens (Human))
BDBM50299900
PNG
(5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan...)
Show SMILES Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)
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n/an/an/an/a 0.100n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output