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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50027819'   
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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50027819
PNG
(CHEMBL153916)
Show SMILES C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H26ClN3O3S/c1-14(21-13-19(24)16-4-3-5-17(20)10-16)11-22-18-8-6-15(7-9-18)12-23-27(2,25)26/h3-10,14,19,21-24H,11-13H2,1-2H3/t14-,19+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Ability to cause cAMP accumulation in CHO cells expressing human beta-1 AR expressed as the negative logarithm of the molar drug concentration


J Med Chem 45: 567-83 (2002)


BindingDB Entry DOI: 10.7270/Q2W0976P
More data for this
Ligand-Target Pair