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PubMed code 10201842

Compile data set for download or QSAR
Found 69 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))		BDBM50075892
PNG
(CHEMBL83753 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
Show InChI InChI=1S/C32H41N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,22-24,31,34-35,38H,2-7,18,20-21,25H2,1H3/t31-/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075897
PNG
(CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075897
PNG
(CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075911
PNG
(4-[3-(3-Cyclopentyl-propyl)-2-oxo-2,3-dihydro-imid...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(CCCC3CCCC3)c2=O)cc1)c1cccnc1
Show InChI InChI=1S/C32H39N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,21-23,25,31,34-35,38H,1-2,4-7,17,19-20,24H2/t31-/m0/s1
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n/an/a 760n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075906
PNG
(4-[3-(3-Cyclopentyl-propyl)-2-oxo-imidazolidin-1-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC3CCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C32H41N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,23,25,31,34-35,38H,1-2,4-7,17,19-22,24H2/t31-/m0/s1
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n/an/a 760n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075910
PNG
(4-[3-(3-Cyclohexyl-propyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC3CCCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C33H43N5O4S/c39-32(28-9-4-19-34-24-28)25-35-20-18-27-10-12-29(13-11-27)36-43(41,42)31-16-14-30(15-17-31)38-23-22-37(33(38)40)21-5-8-26-6-2-1-3-7-26/h4,9-17,19,24,26,32,35-36,39H,1-3,5-8,18,20-23,25H2/t32-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075902
PNG
(4-[3-(2-Cyclohexyl-ethyl)-2-oxo-imidazolidin-1-yl]...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC3CCCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C32H41N5O4S/c38-31(27-7-4-18-33-23-27)24-34-19-16-26-8-10-28(11-9-26)35-42(40,41)30-14-12-29(13-15-30)37-22-21-36(32(37)39)20-17-25-5-2-1-3-6-25/h4,7-15,18,23,25,31,34-35,38H,1-3,5-6,16-17,19-22,24H2/t31-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075914
PNG
(4-(3-Heptyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-...)
Show SMILES CCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C31H41N5O4S/c1-2-3-4-5-6-20-35-21-22-36(31(35)38)28-13-15-29(16-14-28)41(39,40)34-27-11-9-25(10-12-27)17-19-33-24-30(37)26-8-7-18-32-23-26/h7-16,18,23,30,33-34,37H,2-6,17,19-22,24H2,1H3/t30-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075910
PNG
(4-[3-(3-Cyclohexyl-propyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC3CCCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C33H43N5O4S/c39-32(28-9-4-19-34-24-28)25-35-20-18-27-10-12-29(13-11-27)36-43(41,42)31-16-14-30(15-17-31)38-23-22-37(33(38)40)21-5-8-26-6-2-1-3-7-26/h4,9-17,19,24,26,32,35-36,39H,1-3,5-8,18,20-23,25H2/t32-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075913
PNG
(4-{3-[3-(4-Chloro-phenyl)-propyl]-2-oxo-imidazolid...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCc3ccc(Cl)cc3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C33H36ClN5O4S/c34-28-9-5-25(6-10-28)3-2-20-38-21-22-39(33(38)41)30-13-15-31(16-14-30)44(42,43)37-29-11-7-26(8-12-29)17-19-36-24-32(40)27-4-1-18-35-23-27/h1,4-16,18,23,32,36-37,40H,2-3,17,19-22,24H2/t32-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075908
PNG
(CHEMBL166188 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCc3ccccc3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C33H37N5O4S/c39-32(28-9-4-19-34-24-28)25-35-20-18-27-10-12-29(13-11-27)36-43(41,42)31-16-14-30(15-17-31)38-23-22-37(33(38)40)21-5-8-26-6-2-1-3-7-26/h1-4,6-7,9-17,19,24,32,35-36,39H,5,8,18,20-23,25H2/t32-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075913
PNG
(4-{3-[3-(4-Chloro-phenyl)-propyl]-2-oxo-imidazolid...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCc3ccc(Cl)cc3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C33H36ClN5O4S/c34-28-9-5-25(6-10-28)3-2-20-38-21-22-39(33(38)41)30-13-15-31(16-14-30)44(42,43)37-29-11-7-26(8-12-29)17-19-36-24-32(40)27-4-1-18-35-23-27/h1,4-16,18,23,32,36-37,40H,2-3,17,19-22,24H2/t32-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075899
PNG
(CHEMBL164401 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H29N5O4S/c1-29-15-16-30(25(29)32)22-8-10-23(11-9-22)35(33,34)28-21-6-4-19(5-7-21)12-14-27-18-24(31)20-3-2-13-26-17-20/h2-11,13,17,24,27-28,31H,12,14-16,18H2,1H3/t24-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075896
PNG
(4-(3-Hexyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-2...)
Show SMILES CCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C30H39N5O4S/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/h6-15,17,22,29,32-33,36H,2-5,16,18-21,23H2,1H3/t29-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075906
PNG
(4-[3-(3-Cyclopentyl-propyl)-2-oxo-imidazolidin-1-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC3CCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C32H41N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,23,25,31,34-35,38H,1-2,4-7,17,19-22,24H2/t31-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075914
PNG
(4-(3-Heptyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-...)
Show SMILES CCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C31H41N5O4S/c1-2-3-4-5-6-20-35-21-22-36(31(35)38)28-13-15-29(16-14-28)41(39,40)34-27-11-9-25(10-12-27)17-19-33-24-30(37)26-8-7-18-32-23-26/h7-16,18,23,30,33-34,37H,2-6,17,19-22,24H2,1H3/t30-/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
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075903
PNG
(4-[3-(3,4-Difluoro-benzyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(Cc3ccc(F)c(F)c3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H31F2N5O4S/c32-28-12-5-23(18-29(28)33)21-37-16-17-38(31(37)40)26-8-10-27(11-9-26)43(41,42)36-25-6-3-22(4-7-25)13-15-35-20-30(39)24-2-1-14-34-19-24/h1-12,14,18-19,30,35-36,39H,13,15-17,20-21H2/t30-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075908
PNG
(CHEMBL166188 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCc3ccccc3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C33H37N5O4S/c39-32(28-9-4-19-34-24-28)25-35-20-18-27-10-12-29(13-11-27)36-43(41,42)31-16-14-30(15-17-31)38-23-22-37(33(38)40)21-5-8-26-6-2-1-3-7-26/h1-4,6-7,9-17,19,24,32,35-36,39H,5,8,18,20-23,25H2/t32-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075902
PNG
(4-[3-(2-Cyclohexyl-ethyl)-2-oxo-imidazolidin-1-yl]...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC3CCCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C32H41N5O4S/c38-31(27-7-4-18-33-23-27)24-34-19-16-26-8-10-28(11-9-26)35-42(40,41)30-14-12-29(13-15-30)37-22-21-36(32(37)39)20-17-25-5-2-1-3-6-25/h4,7-15,18,23,25,31,34-35,38H,1-3,5-6,16-17,19-22,24H2/t31-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075916
PNG
(4-[3-(2,2-Dimethyl-hexyl)-2-oxo-imidazolidin-1-yl]...)
Show SMILES CCCCC(C)(C)CN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C32H43N5O4S/c1-4-5-17-32(2,3)24-36-20-21-37(31(36)39)28-12-14-29(15-13-28)42(40,41)35-27-10-8-25(9-11-27)16-19-34-23-30(38)26-7-6-18-33-22-26/h6-15,18,22,30,34-35,38H,4-5,16-17,19-21,23-24H2,1-3H3/t30-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075907
PNG
(4-[3-(2-Cyclopentyl-ethyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC3CCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H39N5O4S/c37-30(26-6-3-17-32-22-26)23-33-18-15-25-7-9-27(10-8-25)34-41(39,40)29-13-11-28(12-14-29)36-21-20-35(31(36)38)19-16-24-4-1-2-5-24/h3,6-14,17,22,24,30,33-34,37H,1-2,4-5,15-16,18-21,23H2/t30-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075903
PNG
(4-[3-(3,4-Difluoro-benzyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(Cc3ccc(F)c(F)c3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H31F2N5O4S/c32-28-12-5-23(18-29(28)33)21-37-16-17-38(31(37)40)26-8-10-27(11-9-26)43(41,42)36-25-6-3-22(4-7-25)13-15-35-20-30(39)24-2-1-14-34-19-24/h1-12,14,18-19,30,35-36,39H,13,15-17,20-21H2/t30-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075896
PNG
(4-(3-Hexyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-2...)
Show SMILES CCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C30H39N5O4S/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/h6-15,17,22,29,32-33,36H,2-5,16,18-21,23H2,1H3/t29-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075904
PNG
(CHEMBL165015 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H37N5O4S/c1-2-3-4-18-33-19-20-34(29(33)36)26-11-13-27(14-12-26)39(37,38)32-25-9-7-23(8-10-25)15-17-31-22-28(35)24-6-5-16-30-21-24/h5-14,16,21,28,31-32,35H,2-4,15,17-20,22H2,1H3/t28-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075898
PNG
(4-(3-Butyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-2...)
Show SMILES CCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H35N5O4S/c1-2-3-17-32-18-19-33(28(32)35)25-10-12-26(13-11-25)38(36,37)31-24-8-6-22(7-9-24)14-16-30-21-27(34)23-5-4-15-29-20-23/h4-13,15,20,27,30-31,34H,2-3,14,16-19,21H2,1H3/t27-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075911
PNG
(4-[3-(3-Cyclopentyl-propyl)-2-oxo-2,3-dihydro-imid...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(CCCC3CCCC3)c2=O)cc1)c1cccnc1
Show InChI InChI=1S/C32H39N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,21-23,25,31,34-35,38H,1-2,4-7,17,19-20,24H2/t31-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075892
PNG
(CHEMBL83753 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
Show InChI InChI=1S/C32H41N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,22-24,31,34-35,38H,2-7,18,20-21,25H2,1H3/t31-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075915
PNG
(CHEMBL79675 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC(F)(F)F)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C28H32F3N5O4S/c29-28(30,31)13-2-16-35-17-18-36(27(35)38)24-8-10-25(11-9-24)41(39,40)34-23-6-4-21(5-7-23)12-15-33-20-26(37)22-3-1-14-32-19-22/h1,3-11,14,19,26,33-34,37H,2,12-13,15-18,20H2/t26-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075916
PNG
(4-[3-(2,2-Dimethyl-hexyl)-2-oxo-imidazolidin-1-yl]...)
Show SMILES CCCCC(C)(C)CN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C32H43N5O4S/c1-4-5-17-32(2,3)24-36-20-21-37(31(36)39)28-12-14-29(15-13-28)42(40,41)35-27-10-8-25(9-11-27)16-19-34-23-30(38)26-7-6-18-33-22-26/h6-15,18,22,30,34-35,38H,4-5,16-17,19-21,23-24H2,1-3H3/t30-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075912
PNG
(CHEMBL83754 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC(F)(F)C(F)(F)F)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C29H32F5N5O4S/c30-28(31,29(32,33)34)13-2-16-38-17-18-39(27(38)41)24-8-10-25(11-9-24)44(42,43)37-23-6-4-21(5-7-23)12-15-36-20-26(40)22-3-1-14-35-19-22/h1,3-11,14,19,26,36-37,40H,2,12-13,15-18,20H2/t26-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075905
PNG
(CHEMBL349689 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(CCCC(F)(F)F)c2=O)cc1)c1cccnc1
Show InChI InChI=1S/C28H30F3N5O4S/c29-28(30,31)13-2-16-35-17-18-36(27(35)38)24-8-10-25(11-9-24)41(39,40)34-23-6-4-21(5-7-23)12-15-33-20-26(37)22-3-1-14-32-19-22/h1,3-11,14,17-19,26,33-34,37H,2,12-13,15-16,20H2/t26-/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
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075899
PNG
(CHEMBL164401 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H29N5O4S/c1-29-15-16-30(25(29)32)22-8-10-23(11-9-22)35(33,34)28-21-6-4-19(5-7-21)12-14-27-18-24(31)20-3-2-13-26-17-20/h2-11,13,17,24,27-28,31H,12,14-16,18H2,1H3/t24-/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
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075898
PNG
(4-(3-Butyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-2...)
Show SMILES CCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H35N5O4S/c1-2-3-17-32-18-19-33(28(32)35)25-10-12-26(13-11-25)38(36,37)31-24-8-6-22(7-9-24)14-16-30-21-27(34)23-5-4-15-29-20-23/h4-13,15,20,27,30-31,34H,2-3,14,16-19,21H2,1H3/t27-/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
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075912
PNG
(CHEMBL83754 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC(F)(F)C(F)(F)F)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C29H32F5N5O4S/c30-28(31,29(32,33)34)13-2-16-38-17-18-39(27(38)41)24-8-10-25(11-9-24)44(42,43)37-23-6-4-21(5-7-23)12-15-36-20-26(40)22-3-1-14-35-19-22/h1,3-11,14,19,26,36-37,40H,2,12-13,15-18,20H2/t26-/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
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075904
PNG
(CHEMBL165015 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H37N5O4S/c1-2-3-4-18-33-19-20-34(29(33)36)26-11-13-27(14-12-26)39(37,38)32-25-9-7-23(8-10-25)15-17-31-22-28(35)24-6-5-16-30-21-24/h5-14,16,21,28,31-32,35H,2-4,15,17-20,22H2,1H3/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
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075907
PNG
(4-[3-(2-Cyclopentyl-ethyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC3CCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H39N5O4S/c37-30(26-6-3-17-32-22-26)23-33-18-15-25-7-9-27(10-8-25)34-41(39,40)29-13-11-28(12-14-29)36-21-20-35(31(36)38)19-16-24-4-1-2-5-24/h3,6-14,17,22,24,30,33-34,37H,1-2,4-5,15-16,18-21,23H2/t30-/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
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075915
PNG
(CHEMBL79675 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC(F)(F)F)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C28H32F3N5O4S/c29-28(30,31)13-2-16-35-17-18-36(27(35)38)24-8-10-25(11-9-24)41(39,40)34-23-6-4-21(5-7-23)12-15-33-20-26(37)22-3-1-14-32-19-22/h1,3-11,14,19,26,33-34,37H,2,12-13,15-18,20H2/t26-/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
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 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/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075901
PNG
(4-[3-(3,4-Difluoro-benzyl)-2-oxo-2,3-dihydro-imida...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(Cc3ccc(F)c(F)c3)c2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H29F2N5O4S/c32-28-12-5-23(18-29(28)33)21-37-16-17-38(31(37)40)26-8-10-27(11-9-26)43(41,42)36-25-6-3-22(4-7-25)13-15-35-20-30(39)24-2-1-14-34-19-24/h1-12,14,16-19,30,35-36,39H,13,15,20-21H2/t30-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 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/a 1.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075901
PNG
(4-[3-(3,4-Difluoro-benzyl)-2-oxo-2,3-dihydro-imida...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(Cc3ccc(F)c(F)c3)c2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H29F2N5O4S/c32-28-12-5-23(18-29(28)33)21-37-16-17-38(31(37)40)26-8-10-27(11-9-26)43(41,42)36-25-6-3-22(4-7-25)13-15-35-20-30(39)24-2-1-14-34-19-24/h1-12,14,16-19,30,35-36,39H,13,15,20-21H2/t30-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075900
PNG
(CHEMBL434284 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES COCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H37N5O5S/c1-39-20-3-2-17-33-18-19-34(29(33)36)26-10-12-27(13-11-26)40(37,38)32-25-8-6-23(7-9-25)14-16-31-22-28(35)24-5-4-15-30-21-24/h4-13,15,21,28,31-32,35H,2-3,14,16-20,22H2,1H3/t28-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075900
PNG
(CHEMBL434284 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES COCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H37N5O5S/c1-39-20-3-2-17-33-18-19-34(29(33)36)26-10-12-27(13-11-26)40(37,38)32-25-8-6-23(7-9-25)14-16-31-22-28(35)24-5-4-15-30-21-24/h4-13,15,21,28,31-32,35H,2-3,14,16-20,22H2,1H3/t28-/m0/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50075909
PNG
(CHEMBL79915 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC(=O)N3CCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H38N6O5S/c38-29(25-4-3-15-32-22-25)23-33-16-13-24-5-7-26(8-6-24)34-43(41,42)28-11-9-27(10-12-28)37-21-20-36(31(37)40)19-14-30(39)35-17-1-2-18-35/h3-12,15,22,29,33-34,38H,1-2,13-14,16-21,23H2/t29-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-2 adrenergic receptor expressed in CHO cells, using [125I]-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075905
PNG
(CHEMBL349689 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(CCCC(F)(F)F)c2=O)cc1)c1cccnc1
Show InChI InChI=1S/C28H30F3N5O4S/c29-28(30,31)13-2-16-35-17-18-36(27(35)38)24-8-10-25(11-9-24)41(39,40)34-23-6-4-21(5-7-23)12-15-33-20-26(37)22-3-1-14-32-19-22/h1,3-11,14,17-19,26,33-34,37H,2,12-13,15-16,20H2/t26-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50075909
PNG
(CHEMBL79915 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC(=O)N3CCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H38N6O5S/c38-29(25-4-3-15-32-22-25)23-33-16-13-24-5-7-26(8-6-24)34-43(41,42)28-11-9-27(10-12-28)37-21-20-36(31(37)40)19-14-30(39)35-17-1-2-18-35/h3-12,15,22,29,33-34,38H,1-2,13-14,16-21,23H2/t29-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor expressed in CHO cells, using 1251-iodocyanopindolol

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075910
PNG
(4-[3-(3-Cyclohexyl-propyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC3CCCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C33H43N5O4S/c39-32(28-9-4-19-34-24-28)25-35-20-18-27-10-12-29(13-11-27)36-43(41,42)31-16-14-30(15-17-31)38-23-22-37(33(38)40)21-5-8-26-6-2-1-3-7-26/h4,9-17,19,24,26,32,35-36,39H,1-3,5-8,18,20-23,25H2/t32-/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity of the compound towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075905
PNG
(CHEMBL349689 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(CCCC(F)(F)F)c2=O)cc1)c1cccnc1
Show InChI InChI=1S/C28H30F3N5O4S/c29-28(30,31)13-2-16-35-17-18-36(27(35)38)24-8-10-25(11-9-24)41(39,40)34-23-6-4-21(5-7-23)12-15-33-20-26(37)22-3-1-14-32-19-22/h1,3-11,14,17-19,26,33-34,37H,2,12-13,15-16,20H2/t26-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity of the compound towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075912
PNG
(CHEMBL83754 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC(F)(F)C(F)(F)F)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C29H32F5N5O4S/c30-28(31,29(32,33)34)13-2-16-38-17-18-39(27(38)41)24-8-10-25(11-9-24)44(42,43)37-23-6-4-21(5-7-23)12-15-36-20-26(40)22-3-1-14-35-19-22/h1,3-11,14,19,26,36-37,40H,2,12-13,15-18,20H2/t26-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075896
PNG
(4-(3-Hexyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-2...)
Show SMILES CCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C30H39N5O4S/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/h6-15,17,22,29,32-33,36H,2-5,16,18-21,23H2,1H3/t29-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075902
PNG
(4-[3-(2-Cyclohexyl-ethyl)-2-oxo-imidazolidin-1-yl]...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC3CCCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C32H41N5O4S/c38-31(27-7-4-18-33-23-27)24-34-19-16-26-8-10-28(11-9-26)35-42(40,41)30-14-12-29(13-15-30)37-22-21-36(32(37)39)20-17-25-5-2-1-3-6-25/h4,7-15,18,23,25,31,34-35,38H,1-3,5-6,16-17,19-22,24H2/t31-/m0/s1
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n/an/an/an/a 5.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity of the compound towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075897
PNG
(CHEMBL84190 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C32H43N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,24,31,34-35,38H,2-7,18,20-23,25H2,1H3/t31-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
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
Agonist activity of the compound towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075915
PNG
(CHEMBL79675 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC(F)(F)F)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C28H32F3N5O4S/c29-28(30,31)13-2-16-35-17-18-36(27(35)38)24-8-10-25(11-9-24)41(39,40)34-23-6-4-21(5-7-23)12-15-33-20-26(37)22-3-1-14-32-19-22/h1,3-11,14,19,26,33-34,37H,2,12-13,15-18,20H2/t26-/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075898
PNG
(4-(3-Butyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-2...)
Show SMILES CCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H35N5O4S/c1-2-3-17-32-18-19-33(28(32)35)25-10-12-26(13-11-25)38(36,37)31-24-8-6-22(7-9-24)14-16-30-21-27(34)23-5-4-15-29-20-23/h4-13,15,20,27,30-31,34H,2-3,14,16-19,21H2,1H3/t27-/m0/s1
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n/an/an/an/a 37n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075900
PNG
(CHEMBL434284 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES COCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H37N5O5S/c1-39-20-3-2-17-33-18-19-34(29(33)36)26-10-12-27(13-11-26)40(37,38)32-25-8-6-23(7-9-25)14-16-31-22-28(35)24-5-4-15-30-21-24/h4-13,15,21,28,31-32,35H,2-3,14,16-20,22H2,1H3/t28-/m0/s1
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n/an/an/an/a 67n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075903
PNG
(4-[3-(3,4-Difluoro-benzyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(Cc3ccc(F)c(F)c3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H31F2N5O4S/c32-28-12-5-23(18-29(28)33)21-37-16-17-38(31(37)40)26-8-10-27(11-9-26)43(41,42)36-25-6-3-22(4-7-25)13-15-35-20-30(39)24-2-1-14-34-19-24/h1-12,14,18-19,30,35-36,39H,13,15-17,20-21H2/t30-/m0/s1
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n/an/an/an/a 9.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075899
PNG
(CHEMBL164401 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H29N5O4S/c1-29-15-16-30(25(29)32)22-8-10-23(11-9-22)35(33,34)28-21-6-4-19(5-7-21)12-14-27-18-24(31)20-3-2-13-26-17-20/h2-11,13,17,24,27-28,31H,12,14-16,18H2,1H3/t24-/m0/s1
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n/an/an/an/a 85n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075901
PNG
(4-[3-(3,4-Difluoro-benzyl)-2-oxo-2,3-dihydro-imida...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(Cc3ccc(F)c(F)c3)c2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H29F2N5O4S/c32-28-12-5-23(18-29(28)33)21-37-16-17-38(31(37)40)26-8-10-27(11-9-26)43(41,42)36-25-6-3-22(4-7-25)13-15-35-20-30(39)24-2-1-14-34-19-24/h1-12,14,16-19,30,35-36,39H,13,15,20-21H2/t30-/m0/s1
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n/an/an/an/a 2.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity of the compound towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075892
PNG
(CHEMBL83753 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCCCCn1ccn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
Show InChI InChI=1S/C32H41N5O4S/c1-2-3-4-5-6-7-21-36-22-23-37(32(36)39)29-14-16-30(17-15-29)42(40,41)35-28-12-10-26(11-13-28)18-20-34-25-31(38)27-9-8-19-33-24-27/h8-17,19,22-24,31,34-35,38H,2-7,18,20-21,25H2,1H3/t31-/m0/s1
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n/an/an/an/a 3.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity of the compound towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075908
PNG
(CHEMBL166188 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCc3ccccc3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C33H37N5O4S/c39-32(28-9-4-19-34-24-28)25-35-20-18-27-10-12-29(13-11-27)36-43(41,42)31-16-14-30(15-17-31)38-23-22-37(33(38)40)21-5-8-26-6-2-1-3-7-26/h1-4,6-7,9-17,19,24,32,35-36,39H,5,8,18,20-23,25H2/t32-/m0/s1
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n/an/an/an/a 4.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075907
PNG
(4-[3-(2-Cyclopentyl-ethyl)-2-oxo-imidazolidin-1-yl...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC3CCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H39N5O4S/c37-30(26-6-3-17-32-22-26)23-33-18-15-25-7-9-27(10-8-25)34-41(39,40)29-13-11-28(12-14-29)36-21-20-35(31(36)38)19-16-24-4-1-2-5-24/h3,6-14,17,22,24,30,33-34,37H,1-2,4-5,15-16,18-21,23H2/t30-/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity of the compound towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075904
PNG
(CHEMBL165015 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H37N5O4S/c1-2-3-4-18-33-19-20-34(29(33)36)26-11-13-27(14-12-26)39(37,38)32-25-9-7-23(8-10-25)15-17-31-22-28(35)24-6-5-16-30-21-24/h5-14,16,21,28,31-32,35H,2-4,15,17-20,22H2,1H3/t28-/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075906
PNG
(4-[3-(3-Cyclopentyl-propyl)-2-oxo-imidazolidin-1-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCC3CCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C32H41N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,23,25,31,34-35,38H,1-2,4-7,17,19-22,24H2/t31-/m0/s1
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n/an/an/an/a 5.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075913
PNG
(4-{3-[3-(4-Chloro-phenyl)-propyl]-2-oxo-imidazolid...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCc3ccc(Cl)cc3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C33H36ClN5O4S/c34-28-9-5-25(6-10-28)3-2-20-38-21-22-39(33(38)41)30-13-15-31(16-14-30)44(42,43)37-29-11-7-26(8-12-29)17-19-36-24-32(40)27-4-1-18-35-23-27/h1,4-16,18,23,32,36-37,40H,2-3,17,19-22,24H2/t32-/m0/s1
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n/an/an/an/a 4.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075916
PNG
(4-[3-(2,2-Dimethyl-hexyl)-2-oxo-imidazolidin-1-yl]...)
Show SMILES CCCCC(C)(C)CN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C32H43N5O4S/c1-4-5-17-32(2,3)24-36-20-21-37(31(36)39)28-12-14-29(15-13-28)42(40,41)35-27-10-8-25(9-11-27)16-19-34-23-30(38)26-7-6-18-33-22-26/h6-15,18,22,30,34-35,38H,4-5,16-17,19-21,23-24H2,1-3H3/t30-/m0/s1
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n/an/an/an/a 5.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075914
PNG
(4-(3-Heptyl-2-oxo-imidazolidin-1-yl)-N-{4-[2-((R)-...)
Show SMILES CCCCCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C31H41N5O4S/c1-2-3-4-5-6-20-35-21-22-36(31(35)38)28-13-15-29(16-14-28)41(39,40)34-27-11-9-25(10-12-27)17-19-33-24-30(37)26-8-7-18-32-23-26/h7-16,18,23,30,33-34,37H,2-6,17,19-22,24H2,1H3/t30-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075911
PNG
(4-[3-(3-Cyclopentyl-propyl)-2-oxo-2,3-dihydro-imid...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ccn(CCCC3CCCC3)c2=O)cc1)c1cccnc1
Show InChI InChI=1S/C32H39N5O4S/c38-31(27-8-3-18-33-23-27)24-34-19-17-26-9-11-28(12-10-26)35-42(40,41)30-15-13-29(14-16-30)37-22-21-36(32(37)39)20-4-7-25-5-1-2-6-25/h3,8-16,18,21-23,25,31,34-35,38H,1-2,4-7,17,19-20,24H2/t31-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity of the compound towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50075909
PNG
(CHEMBL79915 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCC(=O)N3CCCC3)C2=O)cc1)c1cccnc1
Show InChI InChI=1S/C31H38N6O5S/c38-29(25-4-3-15-32-22-25)23-33-16-13-24-5-7-26(8-6-24)34-43(41,42)28-11-9-27(10-12-28)37-21-20-36(31(37)40)19-14-30(39)35-17-1-2-18-35/h3-12,15,22,29,33-34,38H,1-2,13-14,16-21,23H2/t29-/m0/s1
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Similars
PubMed
n/an/an/an/a 130n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards Beta-3 adrenergic receptor

Bioorg Med Chem Lett 9: 755-8 (1999)


BindingDB Entry DOI: 10.7270/Q2Z60N7C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%