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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50214242   
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50214242
PNG
(CHEMBL447786 | N-(5-((R)-3-((S)-3-(2-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1Cl)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-10-20(16-27(26)36-2)23(11-9-19-6-4-5-7-22(19)28)29-17-21(31)14-18-8-12-25(32)24(15-18)30-37(3,33)34/h4-8,10,12-13,15-16,21,23,29-32H,9,11,14,17H2,1-3H3/t21-,23+/m1/s1
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Article
PubMed
7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50214242
PNG
(CHEMBL447786 | N-(5-((R)-3-((S)-3-(2-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1Cl)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-10-20(16-27(26)36-2)23(11-9-19-6-4-5-7-22(19)28)29-17-21(31)14-18-8-12-25(32)24(15-18)30-37(3,33)34/h4-8,10,12-13,15-16,21,23,29-32H,9,11,14,17H2,1-3H3/t21-,23+/m1/s1
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Article
PubMed
57n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50214242
PNG
(CHEMBL447786 | N-(5-((R)-3-((S)-3-(2-chlorophenyl)...)
Show SMILES COc1ccc(cc1OC)[C@H](CCc1ccccc1Cl)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H33ClN2O6S/c1-35-26-13-10-20(16-27(26)36-2)23(11-9-19-6-4-5-7-22(19)28)29-17-21(31)14-18-8-12-25(32)24(15-18)30-37(3,33)34/h4-8,10,12-13,15-16,21,23,29-32H,9,11,14,17H2,1-3H3/t21-,23+/m1/s1
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Article
PubMed
270n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair