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PubMed code 11327605

Compile data set for download or QSAR
Found 27 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-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50099151
PNG
(CHEMBL177442 | N'-[5-(4-{4-[(S)-2-Hydroxy-3-(2-oxo...)
Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 |w:12.13,t:6|
Show InChI InChI=1S/C28H34N8O4S/c1-35(2)26(29)34-28-33-25(38)23(41-28)14-17-6-8-19(9-7-17)36-12-10-18(11-13-36)30-15-20(37)16-40-22-5-3-4-21-24(22)32-27(39)31-21/h3-9,14,18,20,30,37H,10-13,15-16H2,1-2H3,(H2,31,32,39)(H2,29,33,34,38)/t20-/m0/s1
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 3.80n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50099151
PNG
(CHEMBL177442 | N'-[5-(4-{4-[(S)-2-Hydroxy-3-(2-oxo...)
Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 |w:12.13,t:6|
Show InChI InChI=1S/C28H34N8O4S/c1-35(2)26(29)34-28-33-25(38)23(41-28)14-17-6-8-19(9-7-17)36-12-10-18(11-13-36)30-15-20(37)16-40-22-5-3-4-21-24(22)32-27(39)31-21/h3-9,14,18,20,30,37H,10-13,15-16H2,1-2H3,(H2,31,32,39)(H2,29,33,34,38)/t20-/m0/s1
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 7.20n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of 125 I-Iodocyanopindolol binding to Beta-2 adrenergic receptor

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50099160
PNG
(CHEMBL354906 | [5-(4-{4-[(R)-2-Hydroxy-2-(4-hydrox...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cc2sc(=O)n(CC(O)=O)c2O)cc1
Show InChI InChI=1S/C26H32N4O8S2/c1-40(37,38)28-20-13-17(4-7-21(20)31)22(32)14-27-18-8-10-29(11-9-18)19-5-2-16(3-6-19)12-23-25(35)30(15-24(33)34)26(36)39-23/h2-7,13,18,22,27-28,31-32,35H,8-12,14-15H2,1H3,(H,33,34)/t22-/m0/s1
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 2.10E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of 125 I-Iodocyanopindolol binding to Beta-2 adrenergic receptor

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50099160
PNG
(CHEMBL354906 | [5-(4-{4-[(R)-2-Hydroxy-2-(4-hydrox...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cc2sc(=O)n(CC(O)=O)c2O)cc1
Show InChI InChI=1S/C26H32N4O8S2/c1-40(37,38)28-20-13-17(4-7-21(20)31)22(32)14-27-18-8-10-29(11-9-18)19-5-2-16(3-6-19)12-23-25(35)30(15-24(33)34)26(36)39-23/h2-7,13,18,22,27-28,31-32,35H,8-12,14-15H2,1H3,(H,33,34)/t22-/m0/s1
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 9.10E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50099150
PNG
(CHEMBL368584 | N-[5-(2-{1-[4-((R)-3,5-Dioxo-[1,2,4...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cn2oc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C23H29N5O7S/c1-36(33,34)26-19-12-16(4-7-20(19)29)21(30)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)14-28-22(31)25-23(32)35-28/h2-7,12,17,21,24,26,29-30H,8-11,13-14H2,1H3,(H,25,31,32)/t21-/m0/s1
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 9.49E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50099150
PNG
(CHEMBL368584 | N-[5-(2-{1-[4-((R)-3,5-Dioxo-[1,2,4...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cn2oc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C23H29N5O7S/c1-36(33,34)26-19-12-16(4-7-20(19)29)21(30)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)14-28-22(31)25-23(32)35-28/h2-7,12,17,21,24,26,29-30H,8-11,13-14H2,1H3,(H,25,31,32)/t21-/m0/s1
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 7.40E+4n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of 125 I-Iodocyanopindolol binding to Beta-2 adrenergic receptor

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099156
PNG
(CHEMBL174534 | N'-(5-{4-[4-((S)-2-Hydroxy-3-phenox...)
Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1ccccc1 |w:12.13,t:6|
Show InChI InChI=1S/C27H34N6O3S/c1-32(2)26(28)31-27-30-25(35)24(37-27)16-19-8-10-21(11-9-19)33-14-12-20(13-15-33)29-17-22(34)18-36-23-6-4-3-5-7-23/h3-11,16,20,22,29,34H,12-15,17-18H2,1-2H3,(H2,28,30,31,35)/t22-/m0/s1
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n/an/an/an/a 940n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099157
PNG
(CHEMBL435307 | N-[2-Hydroxy-5-((S)-2-hydroxy-3-{1-...)
Show SMILES CS(=O)(=O)Nc1cc(OC[C@@H](O)CNC2CCN(CC2)c2ccc(\C=C3/SC(=NC3=O)N3CCCCC3)cc2)ccc1O |c:28|
Show InChI InChI=1S/C30H39N5O6S2/c1-43(39,40)33-26-18-25(9-10-27(26)37)41-20-24(36)19-31-22-11-15-34(16-12-22)23-7-5-21(6-8-23)17-28-29(38)32-30(42-28)35-13-3-2-4-14-35/h5-10,17-18,22,24,31,33,36-37H,2-4,11-16,19-20H2,1H3/b28-17-/t24-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099160
PNG
(CHEMBL354906 | [5-(4-{4-[(R)-2-Hydroxy-2-(4-hydrox...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cc2sc(=O)n(CC(O)=O)c2O)cc1
Show InChI InChI=1S/C26H32N4O8S2/c1-40(37,38)28-20-13-17(4-7-21(20)31)22(32)14-27-18-8-10-29(11-9-18)19-5-2-16(3-6-19)12-23-25(35)30(15-24(33)34)26(36)39-23/h2-7,13,18,22,27-28,31-32,35H,8-12,14-15H2,1H3,(H,33,34)/t22-/m0/s1
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n/an/an/an/a 34n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099168
PNG
(CHEMBL177400 | N-{5-[(R)-2-(1-{4-[2-(N',N'-Dimethy...)
Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1 |w:12.13,t:6|
Show InChI InChI=1S/C27H35N7O5S2/c1-33(2)26(28)31-27-30-25(37)24(40-27)14-17-4-7-20(8-5-17)34-12-10-19(11-13-34)29-16-23(36)18-6-9-22(35)21(15-18)32-41(3,38)39/h4-9,14-15,19,23,29,32,35-36H,10-13,16H2,1-3H3,(H2,28,30,31,37)/t23-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099155
PNG
(CHEMBL174054 | N-[2-Hydroxy-5-(1-hydroxy-2-{1-[4-(...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC1CCN(CC1)c1ccc(C=C2N=C(N)NC2=O)cc1 |w:26.27,t:30|
Show InChI InChI=1S/C24H30N6O5S/c1-36(34,35)29-19-13-16(4-7-21(19)31)22(32)14-26-17-8-10-30(11-9-17)18-5-2-15(3-6-18)12-20-23(33)28-24(25)27-20/h2-7,12-13,17,22,26,29,31-32H,8-11,14H2,1H3,(H3,25,27,28,33)
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n/an/an/an/a 34n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50097798
PNG
(CHEMBL163262 | N-[5-((R)-2-{1-[4-(2,4-Dioxo-thiazo...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cc2sc(=O)[nH]c2O)cc1
Show InChI InChI=1S/C24H30N4O6S2/c1-36(33,34)27-19-13-16(4-7-20(19)29)21(30)14-25-17-8-10-28(11-9-17)18-5-2-15(3-6-18)12-22-23(31)26-24(32)35-22/h2-7,13,17,21,25,27,29-31H,8-12,14H2,1H3,(H,26,32)/t21-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity as cAMP accumulation in CHO cells

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099165
PNG
(8-Hydroxy-5-((S)-2-hydroxy-3-{1-[4-(4-oxo-2-piperi...)
Show SMILES O[C@@H](CNC1CCN(CC1)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1)COc1ccc(O)c2NC(=O)CCc12 |c:18|
Show InChI InChI=1S/C32H39N5O5S/c38-24(20-42-27-10-9-26(39)30-25(27)8-11-29(40)34-30)19-33-22-12-16-36(17-13-22)23-6-4-21(5-7-23)18-28-31(41)35-32(43-28)37-14-2-1-3-15-37/h4-7,9-10,18,22,24,33,38-39H,1-3,8,11-17,19-20H2,(H,34,40)/b28-18-/t24-/m0/s1
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n/an/an/an/a 6n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099167
PNG
(CHEMBL369155 | N'-[5-(4-{4-[(S)-2-Hydroxy-3-(4-hyd...)
Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1ccc(O)cc1 |w:12.13,t:6|
Show InChI InChI=1S/C27H34N6O4S/c1-32(2)26(28)31-27-30-25(36)24(38-27)15-18-3-5-20(6-4-18)33-13-11-19(12-14-33)29-16-22(35)17-37-23-9-7-21(34)8-10-23/h3-10,15,19,22,29,34-35H,11-14,16-17H2,1-2H3,(H2,28,30,31,36)/t22-/m0/s1
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n/an/an/an/a 400n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099159
PNG
(CHEMBL174442 | N-[2-Hydroxy-5-((R)-1-hydroxy-2-{1-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1 |c:31|
Show InChI InChI=1S/C29H37N5O5S2/c1-41(38,39)32-24-18-21(7-10-25(24)35)26(36)19-30-22-11-15-33(16-12-22)23-8-5-20(6-9-23)17-27-28(37)31-29(40-27)34-13-3-2-4-14-34/h5-10,17-18,22,26,30,32,35-36H,2-4,11-16,19H2,1H3/b27-17-/t26-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099164
PNG
(CHEMBL366657 | N-[5-((R)-2-{1-[4-(2-Cyanoamino-4-o...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(C=C2SC(NC#N)=NC2=O)cc1 |w:26.27,c:34|
Show InChI InChI=1S/C25H28N6O5S2/c1-38(35,36)30-20-13-17(4-7-21(20)32)22(33)14-27-18-8-10-31(11-9-18)19-5-2-16(3-6-19)12-23-24(34)29-25(37-23)28-15-26/h2-7,12-13,18,22,27,30,32-33H,8-11,14H2,1H3,(H,28,29,34)/t22-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099166
PNG
(CHEMBL367561 | N'-[5-(4-{4-[(S)-2-Hydroxy-3-(8-hyd...)
Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1ccc(O)c2NC(=O)CCc12 |w:12.13,t:6|
Show InChI InChI=1S/C30H37N7O5S/c1-36(2)29(31)35-30-34-28(41)25(43-30)15-18-3-5-20(6-4-18)37-13-11-19(12-14-37)32-16-21(38)17-42-24-9-8-23(39)27-22(24)7-10-26(40)33-27/h3-6,8-9,15,19,21,32,38-39H,7,10-14,16-17H2,1-2H3,(H,33,40)(H2,31,34,35,41)/t21-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099149
PNG
(5-{4-[4-((S)-2-Hydroxy-3-phenoxy-propylamino)-pipe...)
Show SMILES O[C@@H](CNC1CCN(CC1)c1ccc(\C=C2/SC(=NC2=O)N2CCCCC2)cc1)COc1ccccc1 |c:18|
Show InChI InChI=1S/C29H36N4O3S/c34-25(21-36-26-7-3-1-4-8-26)20-30-23-13-17-32(18-14-23)24-11-9-22(10-12-24)19-27-28(35)31-29(37-27)33-15-5-2-6-16-33/h1,3-4,7-12,19,23,25,30,34H,2,5-6,13-18,20-21H2/b27-19-/t25-/m0/s1
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n/an/an/an/a 75n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099161
PNG
(CHEMBL177185 | N-[5-(2-{1-[4-(2,4-Dioxo-thiazolidi...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC1CCN(CC1)c1ccc(C=C2SC(O)=NC2=O)cc1 |w:26.27,c:32|
Show InChI InChI=1S/C24H28N4O6S2/c1-36(33,34)27-19-13-16(4-7-20(19)29)21(30)14-25-17-8-10-28(11-9-17)18-5-2-15(3-6-18)12-22-23(31)26-24(32)35-22/h2-7,12-13,17,21,25,27,29-30H,8-11,14H2,1H3,(H,26,31,32)
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n/an/an/an/a 6n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099162
PNG
(CHEMBL177438 | N-[2-Hydroxy-5-(1-hydroxy-2-{1-[4-(...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC1CCN(CC1)c1ccc(Cc2sc(N)nc2O)cc1
Show InChI InChI=1S/C24H31N5O5S2/c1-36(33,34)28-19-13-16(4-7-20(19)30)21(31)14-26-17-8-10-29(11-9-17)18-5-2-15(3-6-18)12-22-23(32)27-24(25)35-22/h2-7,13,17,21,26,28,30-32H,8-12,14H2,1H3,(H2,25,27)
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n/an/an/an/a 86n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099150
PNG
(CHEMBL368584 | N-[5-(2-{1-[4-((R)-3,5-Dioxo-[1,2,4...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(Cn2oc(=O)[nH]c2=O)cc1
Show InChI InChI=1S/C23H29N5O7S/c1-36(33,34)26-19-12-16(4-7-20(19)29)21(30)13-24-17-8-10-27(11-9-17)18-5-2-15(3-6-18)14-28-22(31)25-23(32)35-28/h2-7,12,17,21,24,26,29-30H,8-11,13-14H2,1H3,(H,25,31,32)/t21-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099154
PNG
(CHEMBL173472 | N-[2-Hydroxy-5-(1-hydroxy-2-{1-[4-(...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC1CCN(CC1)c1ccc(C=C2SC(N)=NC2=O)cc1 |w:26.27,c:32|
Show InChI InChI=1S/C24H29N5O5S2/c1-36(33,34)28-19-13-16(4-7-20(19)30)21(31)14-26-17-8-10-29(11-9-17)18-5-2-15(3-6-18)12-22-23(32)27-24(25)35-22/h2-7,12-13,17,21,26,28,30-31H,8-11,14H2,1H3,(H2,25,27,32)
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n/an/an/an/a 9n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099151
PNG
(CHEMBL177442 | N'-[5-(4-{4-[(S)-2-Hydroxy-3-(2-oxo...)
Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 |w:12.13,t:6|
Show InChI InChI=1S/C28H34N8O4S/c1-35(2)26(29)34-28-33-25(38)23(41-28)14-17-6-8-19(9-7-17)36-12-10-18(11-13-36)30-15-20(37)16-40-22-5-3-4-21-24(22)32-27(39)31-21/h3-9,14,18,20,30,37H,10-13,15-16H2,1-2H3,(H2,31,32,39)(H2,29,33,34,38)/t20-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099158
PNG
(4-((S)-2-Hydroxy-3-{1-[4-(4-oxo-2-piperidin-1-yl-4...)
Show SMILES O[C@@H](CNC1CCN(CC1)c1ccc(C=C2SC(=NC2=O)N2CCCCC2)cc1)COc1cccc2[nH]c(=O)[nH]c12 |w:14.14,c:18|
Show InChI InChI=1S/C30H36N6O4S/c37-23(19-40-25-6-4-5-24-27(25)33-29(39)32-24)18-31-21-11-15-35(16-12-21)22-9-7-20(8-10-22)17-26-28(38)34-30(41-26)36-13-2-1-3-14-36/h4-10,17,21,23,31,37H,1-3,11-16,18-19H2,(H2,32,33,39)/t23-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099163
PNG
(CHEMBL178848 | N-[2-Hydroxy-5-((R)-1-hydroxy-2-{1-...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(C=C2SC(NO)=NC2=O)cc1 |w:26.27,c:33|
Show InChI InChI=1S/C24H29N5O6S2/c1-37(34,35)28-19-13-16(4-7-20(19)30)21(31)14-25-17-8-10-29(11-9-17)18-5-2-15(3-6-18)12-22-23(32)26-24(27-33)36-22/h2-7,12-13,17,21,25,28,30-31,33H,8-11,14H2,1H3,(H,26,27,32)/t21-/m0/s1
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n/an/an/an/a 80n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099152
PNG
(CHEMBL366395 | N-{5-[(R)-2-(1-{4-[2-(1-Benzyl-pipe...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(C=C2SC(NC3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 |w:26.27,c:47|
Show InChI InChI=1S/C36H44N6O5S2/c1-49(46,47)40-31-22-27(9-12-32(31)43)33(44)23-37-28-15-19-42(20-16-28)30-10-7-25(8-11-30)21-34-35(45)39-36(48-34)38-29-13-17-41(18-14-29)24-26-5-3-2-4-6-26/h2-12,21-22,28-29,33,37,40,43-44H,13-20,23-24H2,1H3,(H,38,39,45)/t33-/m0/s1
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n/an/an/an/a 90n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50099153
PNG
(CHEMBL451185 | N-[2-Hydroxy-5-(1-hydroxy-2-{1-[4-(...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)C(O)CNC1CCN(CC1)c1ccc(Cc2[nH]c(N)nc2O)cc1
Show InChI InChI=1S/C24H32N6O5S/c1-36(34,35)29-19-13-16(4-7-21(19)31)22(32)14-26-17-8-10-30(11-9-17)18-5-2-15(3-6-18)12-20-23(33)28-24(25)27-20/h2-7,13,17,22,26,29,31-33H,8-12,14H2,1H3,(H3,25,27,28)
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n/an/an/an/a 230n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Beta 3-adrenergic receptor agonistic activity, evaluated by measurement of cAMP accumulation in CHO cells.

Bioorg Med Chem Lett 11: 981-4 (2001)


BindingDB Entry DOI: 10.7270/Q2125RZ5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%