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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 = 50072390   
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))
BDBM50072390
PNG
(CHEMBL104981 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C24H29N3O3S/c1-18(2)20-7-11-23(12-8-20)31(29,30)27-22-9-5-19(6-10-22)13-15-26-17-24(28)21-4-3-14-25-16-21/h3-12,14,16,18,24,26-28H,13,15,17H2,1-2H3/t24-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol


Bioorg Med Chem Lett 8: 3087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00571-x
BindingDB Entry DOI: 10.7270/Q25H7FF6
More data for this
Ligand-Target Pair