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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 = 50090161   
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))
BDBM50090161
PNG
(CHEMBL289316 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C31H27F3N4O4S/c32-26-14-21(15-27(33)31(26)34)16-30-37-19-29(42-30)22-5-9-25(10-6-22)43(40,41)38-24-7-3-20(4-8-24)11-13-36-18-28(39)23-2-1-12-35-17-23/h1-10,12,14-15,17,19,28,36,38-39H,11,13,16,18H2/t28-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.


Bioorg Med Chem Lett 10: 1531-4 (2000)


Article DOI: 10.1016/s0960-894x(00)00277-8
BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair