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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 = 50091780   
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))
BDBM50091780
PNG
(CHEMBL61429 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(Cc3nc(Cc4ccc5ccccc5c4)cs3)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C36H34N4O3S2/c41-35(31-6-3-18-37-23-31)24-38-19-17-26-8-13-32(14-9-26)40-45(42,43)34-15-10-27(11-16-34)22-36-39-33(25-44-36)21-28-7-12-29-4-1-2-5-30(29)20-28/h1-16,18,20,23,25,35,38,40-41H,17,19,21-22,24H2/t35-/m0/s1
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PC sid
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Patents


Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity (measured using [125I]-iodocyanopindolol) against human Beta-1 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 10: 1971-3 (2001)


Article DOI: 10.1016/s0960-894x(00)00390-5
BindingDB Entry DOI: 10.7270/Q26T0KV0
More data for this
Ligand-Target Pair