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PubMed code 10406657

Compile data set for download or QSAR
Found 91 hits of Enzyme Inhibition Constant Data   
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))		BDBM50078799
PNG
(1-[5-(3-cyclopentylpropyl)-1,2,4-oxadiazol-3-yl]-N...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1noc(CCCC2CCCC2)n1
Show InChI InChI=1S/C24H28N4O3S/c29-32(30,27-20-10-2-1-3-11-20)21-13-14-22-19(17-21)15-16-28(22)24-25-23(31-26-24)12-6-9-18-7-4-5-8-18/h1-3,10-11,13-14,17-18,27H,4-9,12,15-16H2
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n/an/a 42n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078801
PNG
(1-(5-hexyl-1,2,4-oxadiazol-3-yl)-N-phenyl-2,3-dihy...)
Show SMILES CCCCCCc1nc(no1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C22H26N4O3S/c1-2-3-4-8-11-21-23-22(24-29-21)26-15-14-17-16-19(12-13-20(17)26)30(27,28)25-18-9-6-5-7-10-18/h5-7,9-10,12-13,16,25H,2-4,8,11,14-15H2,1H3
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n/an/a 52n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078787
PNG
(1-(6-octylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-in...)
Show SMILES CCCCCCCCc1cccc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C27H33N3O2S/c1-2-3-4-5-6-8-12-23-15-11-16-27(28-23)30-20-19-22-21-25(17-18-26(22)30)33(31,32)29-24-13-9-7-10-14-24/h7,9-11,13-18,21,29H,2-6,8,12,19-20H2,1H3
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n/an/a 63n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078798
PNG
(1-(5-octyl-1,2,4-oxadiazol-3-yl)-N-phenyl-2,3-dihy...)
Show SMILES CCCCCCCCc1nc(no1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H30N4O3S/c1-2-3-4-5-6-10-13-23-25-24(26-31-23)28-17-16-19-18-21(14-15-22(19)28)32(29,30)27-20-11-8-7-9-12-20/h7-9,11-12,14-15,18,27H,2-6,10,13,16-17H2,1H3
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n/an/a 100n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078803
PNG
(1-(6-hexylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-in...)
Show SMILES CCCCCCc1cccc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H29N3O2S/c1-2-3-4-6-10-21-13-9-14-25(26-21)28-18-17-20-19-23(15-16-24(20)28)31(29,30)27-22-11-7-5-8-12-22/h5,7-9,11-16,19,27H,2-4,6,10,17-18H2,1H3
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n/an/a 140n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078794
PNG
(1-(5-octyl-1,3-oxazol-2-yl)-N-phenyl-2,3-dihydro-1...)
Show SMILES CCCCCCCCc1cnc(o1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H31N3O3S/c1-2-3-4-5-6-10-13-22-19-26-25(31-22)28-17-16-20-18-23(14-15-24(20)28)32(29,30)27-21-11-8-7-9-12-21/h7-9,11-12,14-15,18-19,27H,2-6,10,13,16-17H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078787
PNG
(1-(6-octylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-in...)
Show SMILES CCCCCCCCc1cccc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C27H33N3O2S/c1-2-3-4-5-6-8-12-23-15-11-16-27(28-23)30-20-19-22-21-25(17-18-26(22)30)33(31,32)29-24-13-9-7-10-14-24/h7,9-11,13-18,21,29H,2-6,8,12,19-20H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078795
PNG
(1-(5-hexylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-in...)
Show SMILES CCCCCCc1ccc(nc1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H29N3O2S/c1-2-3-4-6-9-20-12-15-25(26-19-20)28-17-16-21-18-23(13-14-24(21)28)31(29,30)27-22-10-7-5-8-11-22/h5,7-8,10-15,18-19,27H,2-4,6,9,16-17H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078799
PNG
(1-[5-(3-cyclopentylpropyl)-1,2,4-oxadiazol-3-yl]-N...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1noc(CCCC2CCCC2)n1
Show InChI InChI=1S/C24H28N4O3S/c29-32(30,27-20-10-2-1-3-11-20)21-13-14-22-19(17-21)15-16-28(22)24-25-23(31-26-24)12-6-9-18-7-4-5-8-18/h1-3,10-11,13-14,17-18,27H,4-9,12,15-16H2
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078784
PNG
(4-[(4-octyl-1,3-thiazol-2-yl)amino]-N-phenylbenzen...)
Show SMILES CCCCCCCCc1csc(Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2)n1
Show InChI InChI=1S/C23H29N3O2S2/c1-2-3-4-5-6-8-13-21-18-29-23(25-21)24-19-14-16-22(17-15-19)30(27,28)26-20-11-9-7-10-12-20/h7,9-12,14-18,26H,2-6,8,13H2,1H3,(H,24,25)
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078792
PNG
(4-[methyl(4-octyl-1,3-thiazol-2-yl)amino]-N-phenyl...)
Show SMILES CCCCCCCCc1csc(n1)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H31N3O2S2/c1-3-4-5-6-7-9-14-21-19-30-24(25-21)27(2)22-15-17-23(18-16-22)31(28,29)26-20-12-10-8-11-13-20/h8,10-13,15-19,26H,3-7,9,14H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078796
PNG
(1-[6-(3-cyclopentylpropyl)pyridin-2-yl]-N-phenyl-2...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1cccc(CCCC2CCCC2)n1
Show InChI InChI=1S/C27H31N3O2S/c31-33(32,29-24-11-2-1-3-12-24)25-16-17-26-22(20-25)18-19-30(26)27-15-7-14-23(28-27)13-6-10-21-8-4-5-9-21/h1-3,7,11-12,14-17,20-21,29H,4-6,8-10,13,18-19H2
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 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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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078804
PNG
(1-(4-hexyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-...)
Show SMILES CCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H27N3O2S2/c1-2-3-4-6-11-20-17-29-23(24-20)26-15-14-18-16-21(12-13-22(18)26)30(27,28)25-19-9-7-5-8-10-19/h5,7-10,12-13,16-17,25H,2-4,6,11,14-15H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078786
PNG
(1-(4-octylpyrimidin-2-yl)-N-phenyl-2,3-dihydro-1H-...)
Show SMILES CCCCCCCCc1ccnc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C26H32N4O2S/c1-2-3-4-5-6-8-11-22-16-18-27-26(28-22)30-19-17-21-20-24(14-15-25(21)30)33(31,32)29-23-12-9-7-10-13-23/h7,9-10,12-16,18,20,29H,2-6,8,11,17,19H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078798
PNG
(1-(5-octyl-1,2,4-oxadiazol-3-yl)-N-phenyl-2,3-dihy...)
Show SMILES CCCCCCCCc1nc(no1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H30N4O3S/c1-2-3-4-5-6-10-13-23-25-24(26-31-23)28-17-16-19-18-21(14-15-22(19)28)32(29,30)27-20-11-8-7-9-12-20/h7-9,11-12,14-15,18,27H,2-6,10,13,16-17H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078801
PNG
(1-(5-hexyl-1,2,4-oxadiazol-3-yl)-N-phenyl-2,3-dihy...)
Show SMILES CCCCCCc1nc(no1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C22H26N4O3S/c1-2-3-4-8-11-21-23-22(24-29-21)26-15-14-17-16-19(12-13-20(17)26)30(27,28)25-18-9-6-5-7-10-18/h5-7,9-10,12-13,16,25H,2-4,8,11,14-15H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078789
PNG
(1-(4-hexylpyrimidin-2-yl)-N-phenyl-2,3-dihydro-1H-...)
Show SMILES CCCCCCc1ccnc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H28N4O2S/c1-2-3-4-6-9-20-14-16-25-24(26-20)28-17-15-19-18-22(12-13-23(19)28)31(29,30)27-21-10-7-5-8-11-21/h5,7-8,10-14,16,18,27H,2-4,6,9,15,17H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078813
PNG
(CHEMBL57430 | N-octyl-5-(phenylsulfamoyl)-2,3-dihy...)
Show SMILES CCCCCCCCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H31N3O3S/c1-2-3-4-5-6-10-16-24-23(27)26-17-15-19-18-21(13-14-22(19)26)30(28,29)25-20-11-8-7-9-12-20/h7-9,11-14,18,25H,2-6,10,15-17H2,1H3,(H,24,27)
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n/an/a 630n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078784
PNG
(4-[(4-octyl-1,3-thiazol-2-yl)amino]-N-phenylbenzen...)
Show SMILES CCCCCCCCc1csc(Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2)n1
Show InChI InChI=1S/C23H29N3O2S2/c1-2-3-4-5-6-8-13-21-18-29-23(25-21)24-19-14-16-22(17-15-19)30(27,28)26-20-11-9-7-10-12-20/h7,9-12,14-18,26H,2-6,8,13H2,1H3,(H,24,25)
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n/an/a 650n/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)


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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078790
PNG
(1-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro...)
Show SMILES Cc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N3O2S2/c1-13-12-24-18(19-13)21-10-9-14-11-16(7-8-17(14)21)25(22,23)20-15-5-3-2-4-6-15/h2-8,11-12,20H,9-10H2,1H3
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n/an/a 750n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078809
PNG
(1-[4-(3-cyclopentylpropyl)-1,3-thiazol-2-yl]-N-phe...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1nc(CCCC2CCCC2)cs1
Show InChI InChI=1S/C25H29N3O2S2/c29-32(30,27-21-10-2-1-3-11-21)23-13-14-24-20(17-23)15-16-28(24)25-26-22(18-31-25)12-6-9-19-7-4-5-8-19/h1-3,10-11,13-14,17-19,27H,4-9,12,15-16H2
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n/an/a 900n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078803
PNG
(1-(6-hexylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-in...)
Show SMILES CCCCCCc1cccc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H29N3O2S/c1-2-3-4-6-10-21-13-9-14-25(26-21)28-18-17-20-19-23(15-16-24(20)28)31(29,30)27-22-11-7-5-8-12-22/h5,7-9,11-16,19,27H,2-4,6,10,17-18H2,1H3
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n/an/a 900n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078808
PNG
(CHEMBL292407 | N-methyl-N-octyl-5-(phenylsulfamoyl...)
Show SMILES CCCCCCCCN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H33N3O3S/c1-3-4-5-6-7-11-17-26(2)24(28)27-18-16-20-19-22(14-15-23(20)27)31(29,30)25-21-12-9-8-10-13-21/h8-10,12-15,19,25H,3-7,11,16-18H2,1-2H3
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n/an/a 970n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078800
PNG
(1-nonanoyl-N-phenyl-2,3-dihydro-1H-indole-5-sulfon...)
Show SMILES CCCCCCCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H30N2O3S/c1-2-3-4-5-6-10-13-23(26)25-17-16-19-18-21(14-15-22(19)25)29(27,28)24-20-11-8-7-9-12-20/h7-9,11-12,14-15,18,24H,2-6,10,13,16-17H2,1H3
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n/an/a 1.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078808
PNG
(CHEMBL292407 | N-methyl-N-octyl-5-(phenylsulfamoyl...)
Show SMILES CCCCCCCCN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H33N3O3S/c1-3-4-5-6-7-11-17-26(2)24(28)27-18-16-20-19-22(14-15-23(20)27)31(29,30)25-21-12-9-8-10-13-21/h8-10,12-15,19,25H,3-7,11,16-18H2,1-2H3
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n/an/a 1.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078786
PNG
(1-(4-octylpyrimidin-2-yl)-N-phenyl-2,3-dihydro-1H-...)
Show SMILES CCCCCCCCc1ccnc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C26H32N4O2S/c1-2-3-4-5-6-8-11-22-16-18-27-26(28-22)30-19-17-21-20-24(14-15-25(21)30)33(31,32)29-23-12-9-7-10-13-23/h7,9-10,12-16,18,20,29H,2-6,8,11,17,19H2,1H3
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n/an/a 1.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078813
PNG
(CHEMBL57430 | N-octyl-5-(phenylsulfamoyl)-2,3-dihy...)
Show SMILES CCCCCCCCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H31N3O3S/c1-2-3-4-5-6-10-16-24-23(27)26-17-15-19-18-21(13-14-22(19)26)30(28,29)25-20-11-8-7-9-12-20/h7-9,11-14,18,25H,2-6,10,15-17H2,1H3,(H,24,27)
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n/an/a 1.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078785
PNG
(1-(4-octyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-...)
Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H31N3O2S2/c1-2-3-4-5-6-8-13-22-19-31-25(26-22)28-17-16-20-18-23(14-15-24(20)28)32(29,30)27-21-11-9-7-10-12-21/h7,9-12,14-15,18-19,27H,2-6,8,13,16-17H2,1H3
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n/an/a 1.30E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078789
PNG
(1-(4-hexylpyrimidin-2-yl)-N-phenyl-2,3-dihydro-1H-...)
Show SMILES CCCCCCc1ccnc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H28N4O2S/c1-2-3-4-6-9-20-14-16-25-24(26-20)28-17-15-19-18-22(12-13-23(19)28)31(29,30)27-21-10-7-5-8-11-21/h5,7-8,10-14,16,18,27H,2-4,6,9,15,17H2,1H3
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n/an/a 1.40E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078804
PNG
(1-(4-hexyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-...)
Show SMILES CCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H27N3O2S2/c1-2-3-4-6-11-20-17-29-23(24-20)26-15-14-18-16-21(12-13-22(18)26)30(27,28)25-19-9-7-5-8-10-19/h5,7-10,12-13,16-17,25H,2-4,6,11,14-15H2,1H3
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n/an/a 1.40E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078792
PNG
(4-[methyl(4-octyl-1,3-thiazol-2-yl)amino]-N-phenyl...)
Show SMILES CCCCCCCCc1csc(n1)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H31N3O2S2/c1-3-4-5-6-7-9-14-21-19-30-24(25-21)27(2)22-15-17-23(18-16-22)31(28,29)26-20-12-10-8-11-13-20/h8,10-13,15-19,26H,3-7,9,14H2,1-2H3
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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-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...

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


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078795
PNG
(1-(5-hexylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-in...)
Show SMILES CCCCCCc1ccc(nc1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H29N3O2S/c1-2-3-4-6-9-20-12-15-25(26-19-20)28-17-16-21-18-23(13-14-24(21)28)31(29,30)27-22-10-7-5-8-11-22/h5,7-8,10-15,18-19,27H,2-4,6,9,16-17H2,1H3
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n/an/a 1.80E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078800
PNG
(1-nonanoyl-N-phenyl-2,3-dihydro-1H-indole-5-sulfon...)
Show SMILES CCCCCCCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H30N2O3S/c1-2-3-4-5-6-10-13-23(26)25-17-16-19-18-21(14-15-22(19)25)29(27,28)24-20-11-8-7-9-12-20/h7-9,11-12,14-15,18,24H,2-6,10,13,16-17H2,1H3
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n/an/a 1.80E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078811
PNG
(1-heptanoyl-N-phenyl-2,3-dihydro-1H-indole-5-sulfo...)
Show SMILES CCCCCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C21H26N2O3S/c1-2-3-4-8-11-21(24)23-15-14-17-16-19(12-13-20(17)23)27(25,26)22-18-9-6-5-7-10-18/h5-7,9-10,12-13,16,22H,2-4,8,11,14-15H2,1H3
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n/an/a 2.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078802
PNG
(CHEMBL301594 | N-methyl-N-(2-phenylethyl)-5-(pheny...)
Show SMILES CN(CCc1ccccc1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H25N3O3S/c1-26(16-14-19-8-4-2-5-9-19)24(28)27-17-15-20-18-22(12-13-23(20)27)31(29,30)25-21-10-6-3-7-11-21/h2-13,18,25H,14-17H2,1H3
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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-2 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...

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


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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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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078785
PNG
(1-(4-octyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-...)
Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H31N3O2S2/c1-2-3-4-5-6-8-13-22-19-31-25(26-22)28-17-16-20-18-23(14-15-24(20)28)32(29,30)27-21-11-9-7-10-12-21/h7,9-12,14-15,18-19,27H,2-6,8,13,16-17H2,1H3
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n/an/a 2.60E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078797
PNG
(CHEMBL53517 | N-methyl-N-(2-methyl-1-phenylpropan-...)
Show SMILES CN(C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1)C(C)(C)Cc1ccccc1
Show InChI InChI=1S/C26H29N3O3S/c1-26(2,19-20-10-6-4-7-11-20)28(3)25(30)29-17-16-21-18-23(14-15-24(21)29)33(31,32)27-22-12-8-5-9-13-22/h4-15,18,27H,16-17,19H2,1-3H3
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n/an/a 3.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078796
PNG
(1-[6-(3-cyclopentylpropyl)pyridin-2-yl]-N-phenyl-2...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1cccc(CCCC2CCCC2)n1
Show InChI InChI=1S/C27H31N3O2S/c31-33(32,29-24-11-2-1-3-12-24)25-16-17-26-22(20-25)18-19-30(26)27-15-7-14-23(28-27)13-6-10-21-8-4-5-9-21/h1-3,7,11-12,14-17,20-21,29H,4-6,8-10,13,18-19H2
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n/an/a 3.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50072375
PNG
(4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/m0/s1
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n/an/a 3.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078809
PNG
(1-[4-(3-cyclopentylpropyl)-1,3-thiazol-2-yl]-N-phe...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1nc(CCCC2CCCC2)cs1
Show InChI InChI=1S/C25H29N3O2S2/c29-32(30,27-21-10-2-1-3-11-21)23-13-14-24-20(17-23)15-16-28(24)25-26-22(18-31-25)12-6-9-19-7-4-5-8-19/h1-3,10-11,13-14,17-19,27H,4-9,12,15-16H2
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n/an/a 4.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078790
PNG
(1-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro...)
Show SMILES Cc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N3O2S2/c1-13-12-24-18(19-13)21-10-9-14-11-16(7-8-17(14)21)25(22,23)20-15-5-3-2-4-6-15/h2-8,11-12,20H,9-10H2,1H3
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n/an/a 4.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078788
PNG
(1-[3-(3-cyclopentylpropyl)phenyl]-N-phenyl-2,3-dih...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1cccc(CCCC2CCCC2)c1
Show InChI InChI=1S/C28H32N2O2S/c31-33(32,29-25-13-2-1-3-14-25)27-16-17-28-24(21-27)18-19-30(28)26-15-7-12-23(20-26)11-6-10-22-8-4-5-9-22/h1-3,7,12-17,20-22,29H,4-6,8-11,18-19H2
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n/an/a 4.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078794
PNG
(1-(5-octyl-1,3-oxazol-2-yl)-N-phenyl-2,3-dihydro-1...)
Show SMILES CCCCCCCCc1cnc(o1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H31N3O3S/c1-2-3-4-5-6-10-13-22-19-26-25(31-22)28-17-16-20-18-23(14-15-24(20)28)32(29,30)27-21-11-8-7-9-12-21/h7-9,11-12,14-15,18-19,27H,2-6,10,13,16-17H2,1H3
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n/an/a 4.20E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078793
PNG
(CHEMBL56594 | N-hexyl-N-methyl-5-(phenylsulfamoyl)...)
Show SMILES CCCCCCN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C22H29N3O3S/c1-3-4-5-9-15-24(2)22(26)25-16-14-18-17-20(12-13-21(18)25)29(27,28)23-19-10-7-6-8-11-19/h6-8,10-13,17,23H,3-5,9,14-16H2,1-2H3
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n/an/a 6.50E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078806
PNG
(CHEMBL301202 | N,N-dimethyl-5-(phenylsulfamoyl)-2,...)
Show SMILES CN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C17H19N3O3S/c1-19(2)17(21)20-11-10-13-12-15(8-9-16(13)20)24(22,23)18-14-6-4-3-5-7-14/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 7.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078791
PNG
(CHEMBL54885 | N-methyl-5-(phenylsulfamoyl)-2,3-dih...)
Show SMILES CNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C16H17N3O3S/c1-17-16(20)19-10-9-12-11-14(7-8-15(12)19)23(21,22)18-13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3,(H,17,20)
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n/an/a 7.30E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078788
PNG
(1-[3-(3-cyclopentylpropyl)phenyl]-N-phenyl-2,3-dih...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1cccc(CCCC2CCCC2)c1
Show InChI InChI=1S/C28H32N2O2S/c31-33(32,29-25-13-2-1-3-14-25)27-16-17-28-24(21-27)18-19-30(28)26-15-7-12-23(20-26)11-6-10-22-8-4-5-9-22/h1-3,7,12-17,20-22,29H,4-6,8-11,18-19H2
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n/an/a 7.50E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50072375
PNG
(4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/m0/s1
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n/an/a 8.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078797
PNG
(CHEMBL53517 | N-methyl-N-(2-methyl-1-phenylpropan-...)
Show SMILES CN(C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1)C(C)(C)Cc1ccccc1
Show InChI InChI=1S/C26H29N3O3S/c1-26(2,19-20-10-6-4-7-11-20)28(3)25(30)29-17-16-21-18-23(14-15-24(21)29)33(31,32)27-22-12-8-5-9-13-22/h4-15,18,27H,16-17,19H2,1-3H3
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n/an/a 8.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078806
PNG
(CHEMBL301202 | N,N-dimethyl-5-(phenylsulfamoyl)-2,...)
Show SMILES CN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C17H19N3O3S/c1-19(2)17(21)20-11-10-13-12-15(8-9-16(13)20)24(22,23)18-14-6-4-3-5-7-14/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 9.00E+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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078802
PNG
(CHEMBL301594 | N-methyl-N-(2-phenylethyl)-5-(pheny...)
Show SMILES CN(CCc1ccccc1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H25N3O3S/c1-26(16-14-19-8-4-2-5-9-19)24(28)27-17-15-20-18-22(12-13-23(20)27)31(29,30)25-21-10-6-3-7-11-21/h2-13,18,25H,14-17H2,1H3
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n/an/a 1.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078807
PNG
(3-hexyl-1-(4-{[4-(2-{[(2R)-2-hydroxy-2-(pyridin-3-...)
Show SMILES CCCCCCNC(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H39N5O4S/c1-3-4-5-6-19-32-29(36)34(2)26-13-15-27(16-14-26)39(37,38)33-25-11-9-23(10-12-25)17-20-31-22-28(35)24-8-7-18-30-21-24/h7-16,18,21,28,31,33,35H,3-6,17,19-20,22H2,1-2H3,(H,32,36)/t28-/m0/s1
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n/an/a 1.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078807
PNG
(3-hexyl-1-(4-{[4-(2-{[(2R)-2-hydroxy-2-(pyridin-3-...)
Show SMILES CCCCCCNC(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H39N5O4S/c1-3-4-5-6-19-32-29(36)34(2)26-13-15-27(16-14-26)39(37,38)33-25-11-9-23(10-12-25)17-20-31-22-28(35)24-8-7-18-30-21-24/h7-16,18,21,28,31,33,35H,3-6,17,19-20,22H2,1-2H3,(H,32,36)/t28-/m0/s1
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n/an/a 1.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078793
PNG
(CHEMBL56594 | N-hexyl-N-methyl-5-(phenylsulfamoyl)...)
Show SMILES CCCCCCN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C22H29N3O3S/c1-3-4-5-9-15-24(2)22(26)25-16-14-18-17-20(12-13-21(18)25)29(27,28)23-19-10-7-6-8-11-19/h6-8,10-13,17,23H,3-5,9,14-16H2,1-2H3
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n/an/a 1.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078811
PNG
(1-heptanoyl-N-phenyl-2,3-dihydro-1H-indole-5-sulfo...)
Show SMILES CCCCCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C21H26N2O3S/c1-2-3-4-8-11-21(24)23-15-14-17-16-19(12-13-20(17)23)27(25,26)22-18-9-6-5-7-10-18/h5-7,9-10,12-13,16,22H,2-4,8,11,14-15H2,1H3
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n/an/a 1.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50078805
PNG
(CHEMBL53842 | N-hexyl-5-(phenylsulfamoyl)-2,3-dihy...)
Show SMILES CCCCCCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C21H27N3O3S/c1-2-3-4-8-14-22-21(25)24-15-13-17-16-19(11-12-20(17)24)28(26,27)23-18-9-6-5-7-10-18/h5-7,9-12,16,23H,2-4,8,13-15H2,1H3,(H,22,25)
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n/an/a 3.60E+4n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078805
PNG
(CHEMBL53842 | N-hexyl-5-(phenylsulfamoyl)-2,3-dihy...)
Show SMILES CCCCCCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C21H27N3O3S/c1-2-3-4-8-14-22-21(25)24-15-13-17-16-19(11-12-20(17)24)28(26,27)23-18-9-6-5-7-10-18/h5-7,9-12,16,23H,2-4,8,13-15H2,1H3,(H,22,25)
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n/an/a 4.00E+4n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50078791
PNG
(CHEMBL54885 | N-methyl-5-(phenylsulfamoyl)-2,3-dih...)
Show SMILES CNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C16H17N3O3S/c1-17-16(20)19-10-9-12-11-14(7-8-15(12)19)23(21,22)18-13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3,(H,17,20)
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n/an/a 1.00E+5n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078790
PNG
(1-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro...)
Show SMILES Cc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C18H17N3O2S2/c1-13-12-24-18(19-13)21-10-9-14-11-16(7-8-17(14)21)25(22,23)20-15-5-3-2-4-6-15/h2-8,11-12,20H,9-10H2,1H3
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n/an/an/an/a 8.10n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078794
PNG
(1-(5-octyl-1,3-oxazol-2-yl)-N-phenyl-2,3-dihydro-1...)
Show SMILES CCCCCCCCc1cnc(o1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H31N3O3S/c1-2-3-4-5-6-10-13-22-19-26-25(31-22)28-17-16-20-18-23(14-15-24(20)28)32(29,30)27-21-11-8-7-9-12-21/h7-9,11-12,14-15,18-19,27H,2-6,10,13,16-17H2,1H3
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n/an/an/an/a 3.70n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078808
PNG
(CHEMBL292407 | N-methyl-N-octyl-5-(phenylsulfamoyl...)
Show SMILES CCCCCCCCN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H33N3O3S/c1-3-4-5-6-7-11-17-26(2)24(28)27-18-16-20-19-22(14-15-23(20)27)31(29,30)25-21-12-9-8-10-13-21/h8-10,12-15,19,25H,3-7,11,16-18H2,1-2H3
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n/an/an/an/a 18n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078784
PNG
(4-[(4-octyl-1,3-thiazol-2-yl)amino]-N-phenylbenzen...)
Show SMILES CCCCCCCCc1csc(Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2)n1
Show InChI InChI=1S/C23H29N3O2S2/c1-2-3-4-5-6-8-13-21-18-29-23(25-21)24-19-14-16-22(17-15-19)30(27,28)26-20-11-9-7-10-12-20/h7,9-12,14-18,26H,2-6,8,13H2,1H3,(H,24,25)
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n/an/an/an/a 0.800n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075889
PNG
(4-(3-Hexyl-2-oxo-2,3-dihydro-imidazol-1-yl)-N-{4-[...)
Show SMILES CCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-5-19-34-20-21-35(30(34)37)27-12-14-28(15-13-27)40(38,39)33-26-10-8-24(9-11-26)16-18-32-23-29(36)25-7-6-17-31-22-25/h6-15,17,20-22,29,32-33,36H,2-5,16,18-19,23H2,1H3/t29-/m0/s1
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n/an/an/an/a 14n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078802
PNG
(CHEMBL301594 | N-methyl-N-(2-phenylethyl)-5-(pheny...)
Show SMILES CN(CCc1ccccc1)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H25N3O3S/c1-26(16-14-19-8-4-2-5-9-19)24(28)27-17-15-20-18-22(12-13-23(20)27)31(29,30)25-21-10-6-3-7-11-21/h2-13,18,25H,14-17H2,1H3
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n/an/an/an/a 55n/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)


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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078788
PNG
(1-[3-(3-cyclopentylpropyl)phenyl]-N-phenyl-2,3-dih...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1cccc(CCCC2CCCC2)c1
Show InChI InChI=1S/C28H32N2O2S/c31-33(32,29-25-13-2-1-3-14-25)27-16-17-28-24(21-27)18-19-30(28)26-15-7-12-23(20-26)11-6-10-22-8-4-5-9-22/h1-3,7,12-17,20-22,29H,4-6,8-11,18-19H2
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n/an/an/an/a 5n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078801
PNG
(1-(5-hexyl-1,2,4-oxadiazol-3-yl)-N-phenyl-2,3-dihy...)
Show SMILES CCCCCCc1nc(no1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C22H26N4O3S/c1-2-3-4-8-11-21-23-22(24-29-21)26-15-14-17-16-19(12-13-20(17)26)30(27,28)25-18-9-6-5-7-10-18/h5-7,9-10,12-13,16,25H,2-4,8,11,14-15H2,1H3
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n/an/an/an/a 13n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078804
PNG
(1-(4-hexyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-...)
Show SMILES CCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H27N3O2S2/c1-2-3-4-6-11-20-17-29-23(24-20)26-15-14-18-16-21(12-13-22(18)26)30(27,28)25-19-9-7-5-8-10-19/h5,7-10,12-13,16-17,25H,2-4,6,11,14-15H2,1H3
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n/an/an/an/a 0.900n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078800
PNG
(1-nonanoyl-N-phenyl-2,3-dihydro-1H-indole-5-sulfon...)
Show SMILES CCCCCCCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H30N2O3S/c1-2-3-4-5-6-10-13-23(26)25-17-16-19-18-21(14-15-22(19)25)29(27,28)24-20-11-8-7-9-12-20/h7-9,11-12,14-15,18,24H,2-6,10,13,16-17H2,1H3
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n/an/an/an/a 7n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078805
PNG
(CHEMBL53842 | N-hexyl-5-(phenylsulfamoyl)-2,3-dihy...)
Show SMILES CCCCCCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C21H27N3O3S/c1-2-3-4-8-14-22-21(25)24-15-13-17-16-19(11-12-20(17)24)28(26,27)23-18-9-6-5-7-10-18/h5-7,9-12,16,23H,2-4,8,13-15H2,1H3,(H,22,25)
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n/an/an/an/a 6.90n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078786
PNG
(1-(4-octylpyrimidin-2-yl)-N-phenyl-2,3-dihydro-1H-...)
Show SMILES CCCCCCCCc1ccnc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C26H32N4O2S/c1-2-3-4-5-6-8-11-22-16-18-27-26(28-22)30-19-17-21-20-24(14-15-25(21)30)33(31,32)29-23-12-9-7-10-13-23/h7,9-10,12-16,18,20,29H,2-6,8,11,17,19H2,1H3
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n/an/an/an/a 2.40n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078795
PNG
(1-(5-hexylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-in...)
Show SMILES CCCCCCc1ccc(nc1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H29N3O2S/c1-2-3-4-6-9-20-12-15-25(26-19-20)28-17-16-21-18-23(13-14-24(21)28)31(29,30)27-22-10-7-5-8-11-22/h5,7-8,10-15,18-19,27H,2-4,6,9,16-17H2,1H3
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n/an/an/an/a 1.60n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078798
PNG
(1-(5-octyl-1,2,4-oxadiazol-3-yl)-N-phenyl-2,3-dihy...)
Show SMILES CCCCCCCCc1nc(no1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H30N4O3S/c1-2-3-4-5-6-10-13-23-25-24(26-31-23)28-17-16-19-18-21(14-15-22(19)28)32(29,30)27-20-11-8-7-9-12-20/h7-9,11-12,14-15,18,27H,2-6,10,13,16-17H2,1H3
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n/an/an/an/a 31n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078796
PNG
(1-[6-(3-cyclopentylpropyl)pyridin-2-yl]-N-phenyl-2...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1cccc(CCCC2CCCC2)n1
Show InChI InChI=1S/C27H31N3O2S/c31-33(32,29-24-11-2-1-3-12-24)25-16-17-26-22(20-25)18-19-30(26)27-15-7-14-23(28-27)13-6-10-21-8-4-5-9-21/h1-3,7,11-12,14-17,20-21,29H,4-6,8-10,13,18-19H2
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n/an/an/an/a 1.70n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078793
PNG
(CHEMBL56594 | N-hexyl-N-methyl-5-(phenylsulfamoyl)...)
Show SMILES CCCCCCN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C22H29N3O3S/c1-3-4-5-9-15-24(2)22(26)25-16-14-18-17-20(12-13-21(18)25)29(27,28)23-19-10-7-6-8-11-19/h6-8,10-13,17,23H,3-5,9,14-16H2,1-2H3
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n/an/an/an/a 47n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078813
PNG
(CHEMBL57430 | N-octyl-5-(phenylsulfamoyl)-2,3-dihy...)
Show SMILES CCCCCCCCNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C23H31N3O3S/c1-2-3-4-5-6-10-16-24-23(27)26-17-15-19-18-21(13-14-22(19)26)30(28,29)25-20-11-8-7-9-12-20/h7-9,11-14,18,25H,2-6,10,15-17H2,1H3,(H,24,27)
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n/an/an/an/a 0.730n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078792
PNG
(4-[methyl(4-octyl-1,3-thiazol-2-yl)amino]-N-phenyl...)
Show SMILES CCCCCCCCc1csc(n1)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H31N3O2S2/c1-3-4-5-6-7-9-14-21-19-30-24(25-21)27(2)22-15-17-23(18-16-22)31(28,29)26-20-12-10-8-11-13-20/h8,10-13,15-19,26H,3-7,9,14H2,1-2H3
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n/an/an/an/a 5.5n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078811
PNG
(1-heptanoyl-N-phenyl-2,3-dihydro-1H-indole-5-sulfo...)
Show SMILES CCCCCCC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C21H26N2O3S/c1-2-3-4-8-11-21(24)23-15-14-17-16-19(12-13-20(17)23)27(25,26)22-18-9-6-5-7-10-18/h5-7,9-10,12-13,16,22H,2-4,8,11,14-15H2,1H3
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n/an/an/an/a 88n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078812
PNG
(CHEMBL56968 | N-[4-(2-{[(2S)-2-hydroxy-3-(4-hydrox...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc3NCCc3c2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C25H29N3O5S/c29-21-5-7-23(8-6-21)33-17-22(30)16-26-13-11-18-1-3-20(4-2-18)28-34(31,32)24-9-10-25-19(15-24)12-14-27-25/h1-10,15,22,26-30H,11-14,16-17H2/t22-/m0/s1
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n/an/an/an/a 0.650n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50072375
PNG
(4-(3-Hexyl-ureido)-N-{4-[2-((R)-2-hydroxy-2-pyridi...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H37N5O4S/c1-2-3-4-5-18-31-28(35)32-24-12-14-26(15-13-24)38(36,37)33-25-10-8-22(9-11-25)16-19-30-21-27(34)23-7-6-17-29-20-23/h6-15,17,20,27,30,33-34H,2-5,16,18-19,21H2,1H3,(H2,31,32,35)/t27-/m0/s1
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n/an/an/an/a 6.30n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078785
PNG
(1-(4-octyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-...)
Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H31N3O2S2/c1-2-3-4-5-6-8-13-22-19-31-25(26-22)28-17-16-20-18-23(14-15-24(20)28)32(29,30)27-21-11-9-7-10-12-21/h7,9-12,14-15,18-19,27H,2-6,8,13,16-17H2,1H3
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n/an/an/an/a 0.930n/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)


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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078791
PNG
(CHEMBL54885 | N-methyl-5-(phenylsulfamoyl)-2,3-dih...)
Show SMILES CNC(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C16H17N3O3S/c1-17-16(20)19-10-9-12-11-14(7-8-15(12)19)23(21,22)18-13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3,(H,17,20)
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n/an/an/an/a 55n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078803
PNG
(1-(6-hexylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-in...)
Show SMILES CCCCCCc1cccc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C25H29N3O2S/c1-2-3-4-6-10-21-13-9-14-25(26-21)28-18-17-20-19-23(15-16-24(20)28)31(29,30)27-22-11-7-5-8-12-22/h5,7-9,11-16,19,27H,2-4,6,10,17-18H2,1H3
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n/an/an/an/a 1.20n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078787
PNG
(1-(6-octylpyridin-2-yl)-N-phenyl-2,3-dihydro-1H-in...)
Show SMILES CCCCCCCCc1cccc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C27H33N3O2S/c1-2-3-4-5-6-8-12-23-15-11-16-27(28-23)30-20-19-22-21-25(17-18-26(22)30)33(31,32)29-24-13-9-7-10-14-24/h7,9-11,13-18,21,29H,2-6,8,12,19-20H2,1H3
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n/an/an/an/a 1n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078809
PNG
(1-[4-(3-cyclopentylpropyl)-1,3-thiazol-2-yl]-N-phe...)
Show SMILES O=S(=O)(Nc1ccccc1)c1ccc2N(CCc2c1)c1nc(CCCC2CCCC2)cs1
Show InChI InChI=1S/C25H29N3O2S2/c29-32(30,27-21-10-2-1-3-11-21)23-13-14-24-20(17-23)15-16-28(24)25-26-22(18-31-25)12-6-9-19-7-4-5-8-19/h1-3,10-11,13-14,17-19,27H,4-9,12,15-16H2
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n/an/an/an/a 3.20n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50078789
PNG
(1-(4-hexylpyrimidin-2-yl)-N-phenyl-2,3-dihydro-1H-...)
Show SMILES CCCCCCc1ccnc(n1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C24H28N4O2S/c1-2-3-4-6-9-20-14-16-25-24(26-20)28-17-15-19-18-22(12-13-23(19)28)31(29,30)27-21-10-7-5-8-11-21/h5,7-8,10-14,16,18,27H,2-4,6,9,15,17H2,1H3
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n/an/an/an/a 5.10n/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)


BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%