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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 = 'BDBM50419310'   
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))
BDBM50419310
PNG
(CHEMBL1835859)
Show SMILES NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r|
Show InChI InChI=1S/C28H42N4O6/c29-27(36)19-31-28(37)32-24-10-7-9-21(16-24)8-3-6-15-38-14-5-2-1-4-13-30-18-26(35)22-11-12-25(34)23(17-22)20-33/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H2,29,36)(H2,31,32,37)/t26-/m0/s1
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Similars

Article
PubMed
n/an/an/an/a 32n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation


Bioorg Med Chem 19: 6026-32 (2011)


Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D
More data for this
Ligand-Target Pair