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2 similar compounds to monomer 50078788

Compile data set for download or QSAR
Wt: 462.6
BDBM50078783
Wt: 434.5
BDBM50078810

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50078783,50078810   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50078810
PNG
(1-(3-hexylphenyl)-N-phenyl-2,3-dihydro-1H-indole-5...)
Show SMILES CCCCCCc1cccc(c1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C26H30N2O2S/c1-2-3-4-6-10-21-11-9-14-24(19-21)28-18-17-22-20-25(15-16-26(22)28)31(29,30)27-23-12-7-5-8-13-23/h5,7-9,11-16,19-20,27H,2-4,6,10,17-18H2,1H3
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n/an/a 460n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human beta-2 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...


Bioorg Med Chem Lett 9: 1869-74 (1999)


Article DOI: 10.1016/s0960-894x(99)00277-2
BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50078783
PNG
(1-(3-octylphenyl)-N-phenyl-2,3-dihydro-1H-indole-5...)
Show SMILES CCCCCCCCc1cccc(c1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C28H34N2O2S/c1-2-3-4-5-6-8-12-23-13-11-16-26(21-23)30-20-19-24-22-27(17-18-28(24)30)33(31,32)29-25-14-9-7-10-15-25/h7,9-11,13-18,21-22,29H,2-6,8,12,19-20H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human beta-2 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...


Bioorg Med Chem Lett 9: 1869-74 (1999)


Article DOI: 10.1016/s0960-894x(99)00277-2
BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50078810
PNG
(1-(3-hexylphenyl)-N-phenyl-2,3-dihydro-1H-indole-5...)
Show SMILES CCCCCCc1cccc(c1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C26H30N2O2S/c1-2-3-4-6-10-21-11-9-14-24(19-21)28-18-17-22-20-25(15-16-26(22)28)31(29,30)27-23-12-7-5-8-13-23/h5,7-9,11-16,19-20,27H,2-4,6,10,17-18H2,1H3
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n/an/a 700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...


Bioorg Med Chem Lett 9: 1869-74 (1999)


Article DOI: 10.1016/s0960-894x(99)00277-2
BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50078783
PNG
(1-(3-octylphenyl)-N-phenyl-2,3-dihydro-1H-indole-5...)
Show SMILES CCCCCCCCc1cccc(c1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C28H34N2O2S/c1-2-3-4-5-6-8-12-23-13-11-16-26(21-23)30-20-19-24-22-27(17-18-28(24)30)33(31,32)29-25-14-9-7-10-15-25/h7,9-11,13-18,21-22,29H,2-6,8,12,19-20H2,1H3
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n/an/an/an/a 1.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonistic activity against cloned human beta-3 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cA...


Bioorg Med Chem Lett 9: 1869-74 (1999)


Article DOI: 10.1016/s0960-894x(99)00277-2
BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50078810
PNG
(1-(3-hexylphenyl)-N-phenyl-2,3-dihydro-1H-indole-5...)
Show SMILES CCCCCCc1cccc(c1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C26H30N2O2S/c1-2-3-4-6-10-21-11-9-14-24(19-21)28-18-17-22-20-25(15-16-26(22)28)31(29,30)27-23-12-7-5-8-13-23/h5,7-9,11-16,19-20,27H,2-4,6,10,17-18H2,1H3
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n/an/an/an/a 1.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonistic activity against cloned human beta-3 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cA...


Bioorg Med Chem Lett 9: 1869-74 (1999)


Article DOI: 10.1016/s0960-894x(99)00277-2
BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50078783
PNG
(1-(3-octylphenyl)-N-phenyl-2,3-dihydro-1H-indole-5...)
Show SMILES CCCCCCCCc1cccc(c1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C28H34N2O2S/c1-2-3-4-5-6-8-12-23-13-11-16-26(21-23)30-20-19-24-22-27(17-18-28(24)30)33(31,32)29-25-14-9-7-10-15-25/h7,9-11,13-18,21-22,29H,2-6,8,12,19-20H2,1H3
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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...


Bioorg Med Chem Lett 9: 1869-74 (1999)


Article DOI: 10.1016/s0960-894x(99)00277-2
BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair