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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 = 50092019   
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))
BDBM50092019
PNG
(CHEMBL67404 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27F3N6O3S/c31-22-14-28(32)27(29(33)15-22)16-24-18-36-39(37-24)25-7-9-26(10-8-25)43(41,42)38-23-5-3-20(4-6-23)11-13-35-19-30(40)21-2-1-12-34-17-21/h1-10,12,14-15,17-18,30,35,38,40H,11,13,16,19H2/t30-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for cloned human Beta-1 adrenergic receptor expressed in CHO cells, tested in the presence of I-iodocyanopindolol.


Bioorg Med Chem Lett 10: 2111-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00422-4
BindingDB Entry DOI: 10.7270/Q2X929JR
More data for this
Ligand-Target Pair