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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 Monomerid = 50070168   
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))
BDBM50070168
PNG
(CHEMBL13389 | [4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES COC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H29N3O7S/c1-34-25(31)27-19-6-12-24(13-7-19)36(32,33)28-20-4-2-18(3-5-20)14-15-26-16-22(30)17-35-23-10-8-21(29)9-11-23/h2-13,22,26,28-30H,14-17H2,1H3,(H,27,31)/t22-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair