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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50070155   
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-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50070155
PNG
(3-Phenyl-propane-1-sulfonic acid (4-{2-[(S)-2-hydr...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C26H32N2O5S/c29-24-12-14-26(15-13-24)33-20-25(30)19-27-17-16-22-8-10-23(11-9-22)28-34(31,32)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,25,27-30H,4,7,16-20H2/t25-/m0/s1
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PC cid
PC sid
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PubMed
n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against cloned human beta-2 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070155
PNG
(3-Phenyl-propane-1-sulfonic acid (4-{2-[(S)-2-hydr...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)CCCc2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C26H32N2O5S/c29-24-12-14-26(15-13-24)33-20-25(30)19-27-17-16-22-8-10-23(11-9-22)28-34(31,32)18-4-7-21-5-2-1-3-6-21/h1-3,5-6,8-15,25,27-30H,4,7,16-20H2/t25-/m0/s1
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PC cid
PC sid
UniChem

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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand


Bioorg Med Chem Lett 8: 1101-6 (1999)


BindingDB Entry DOI: 10.7270/Q2VM4BDM
More data for this
Ligand-Target Pair