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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50313961   
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))
BDBM50313961
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-n2nccn2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 1 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50313961
PNG
((R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2-n2nccn2)cc1)c1cccnc1 |r|
Show InChI InChI=1S/C24H24N6O2/c31-23(19-4-3-12-25-16-19)17-26-13-11-18-7-9-20(10-8-18)29-24(32)21-5-1-2-6-22(21)30-27-14-15-28-30/h1-10,12,14-16,23,26,31H,11,13,17H2,(H,29,32)/t23-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human beta 2 adrenergic receptor expressed in CHO cells at 10 uM after 3 to 4 hrs by scintillation counter


Bioorg Med Chem Lett 20: 1895-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.130
BindingDB Entry DOI: 10.7270/Q2639QPK
More data for this
Ligand-Target Pair