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Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'feng' and Initial = 'dd'   
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))		BDBM50089477
PNG
(4-[5-(4-Fluoro-phenoxymethyl)-[1,2,4]oxadiazol-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28FN5O5S/c31-24-7-11-26(12-8-24)40-20-29-34-30(35-41-29)22-5-13-27(14-6-22)42(38,39)36-25-9-3-21(4-10-25)15-17-33-19-28(37)23-2-1-16-32-18-23/h1-14,16,18,28,33,36-37H,15,17,19-20H2/t28-/m0/s1
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n/an/a 490n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089489
PNG
(CHEMBL286437 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc4ccccc4c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C34H31N5O4S/c40-32(29-6-3-18-35-22-29)23-36-19-17-24-8-13-30(14-9-24)39-44(41,42)31-15-11-27(12-16-31)34-37-33(43-38-34)21-25-7-10-26-4-1-2-5-28(26)20-25/h1-16,18,20,22,32,36,39-40H,17,19,21,23H2/t32-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089469
PNG
(4-[5-(3-Cyclohexyl-propyl)-[1,2,4]oxadiazol-3-yl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C32H39N5O4S/c38-30(27-9-5-20-33-22-27)23-34-21-19-25-11-15-28(16-12-25)37-42(39,40)29-17-13-26(14-18-29)32-35-31(41-36-32)10-4-8-24-6-2-1-3-7-24/h5,9,11-18,20,22,24,30,34,37-38H,1-4,6-8,10,19,21,23H2/t30-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089482
PNG
(4-[5-(3-Fluoro-benzyl)-[1,2,4]oxadiazol-3-yl]-N-{4...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3cccc(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28FN5O4S/c31-25-5-1-3-22(17-25)18-29-34-30(35-40-29)23-8-12-27(13-9-23)41(38,39)36-26-10-6-21(7-11-26)14-16-33-20-28(37)24-4-2-15-32-19-24/h1-13,15,17,19,28,33,36-37H,14,16,18,20H2/t28-/m0/s1
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n/an/a 695n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089477
PNG
(4-[5-(4-Fluoro-phenoxymethyl)-[1,2,4]oxadiazol-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28FN5O5S/c31-24-7-11-26(12-8-24)40-20-29-34-30(35-41-29)22-5-13-27(14-6-22)42(38,39)36-25-9-3-21(4-10-25)15-17-33-19-28(37)23-2-1-16-32-18-23/h1-14,16,18,28,33,36-37H,15,17,19-20H2/t28-/m0/s1
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n/an/a 715n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089479
PNG
(CHEMBL285499 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H26F3N5O4S/c31-25-14-20(15-26(32)29(25)33)16-28-36-30(37-42-28)21-5-9-24(10-6-21)43(40,41)38-23-7-3-19(4-8-23)11-13-35-18-27(39)22-2-1-12-34-17-22/h1-10,12,14-15,17,27,35,38-39H,11,13,16,18H2/t27-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089458
PNG
(4-[5-(3-Cyclopentyl-propyl)-[1,2,4]oxadiazol-3-yl]...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H37N5O4S/c37-29(26-8-4-19-32-21-26)22-33-20-18-24-10-14-27(15-11-24)36-41(38,39)28-16-12-25(13-17-28)31-34-30(40-35-31)9-3-7-23-5-1-2-6-23/h4,8,10-17,19,21,23,29,33,36-37H,1-3,5-7,9,18,20,22H2/t29-/m0/s1
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n/an/a 962n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089498
PNG
(4-[5-(3,4-Difluoro-benzyl)-[1,2,4]oxadiazol-3-yl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27F2N5O4S/c31-26-12-5-21(16-27(26)32)17-29-35-30(36-41-29)22-6-10-25(11-7-22)42(39,40)37-24-8-3-20(4-9-24)13-15-34-19-28(38)23-2-1-14-33-18-23/h1-12,14,16,18,28,34,37-38H,13,15,17,19H2/t28-/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089499
PNG
(CHEMBL287567 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F3N5O6S/c32-31(33,34)44-26-11-9-25(10-12-26)43-20-29-37-30(38-45-29)22-5-13-27(14-6-22)46(41,42)39-24-7-3-21(4-8-24)15-17-36-19-28(40)23-2-1-16-35-18-23/h1-14,16,18,28,36,39-40H,15,17,19-20H2/t28-/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089471
PNG
(4-(5-Hexyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-h...)
Show SMILES CCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H35N5O4S/c1-2-3-4-5-8-28-32-29(33-38-28)23-11-15-26(16-12-23)39(36,37)34-25-13-9-22(10-14-25)17-19-31-21-27(35)24-7-6-18-30-20-24/h6-7,9-16,18,20,27,31,34-35H,2-5,8,17,19,21H2,1H3/t27-/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 Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089457
PNG
(CHEMBL284965 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CC(C)CCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H35N5O4S/c1-21(2)5-3-7-28-32-29(33-38-28)23-10-14-26(15-11-23)39(36,37)34-25-12-8-22(9-13-25)16-18-31-20-27(35)24-6-4-17-30-19-24/h4,6,8-15,17,19,21,27,31,34-35H,3,5,7,16,18,20H2,1-2H3/t27-/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 Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089496
PNG
(CHEMBL33292 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F3N5O5S/c32-31(33,34)43-26-11-5-22(6-12-26)18-29-37-30(38-44-29)23-7-13-27(14-8-23)45(41,42)39-25-9-3-21(4-10-25)15-17-36-20-28(40)24-2-1-16-35-19-24/h1-14,16,19,28,36,39-40H,15,17-18,20H2/t28-/m0/s1
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n/an/a 1.29E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089470
PNG
(4-(5-Heptyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-...)
Show SMILES CCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-5-6-9-29-33-30(34-39-29)24-12-16-27(17-13-24)40(37,38)35-26-14-10-23(11-15-26)18-20-32-22-28(36)25-8-7-19-31-21-25/h7-8,10-17,19,21,28,32,35-36H,2-6,9,18,20,22H2,1H3/t28-/m0/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089497
PNG
(4-[5-(3,4-Difluoro-phenoxymethyl)-[1,2,4]oxadiazol...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27F2N5O5S/c31-26-12-9-24(16-27(26)32)41-19-29-35-30(36-42-29)21-5-10-25(11-6-21)43(39,40)37-23-7-3-20(4-8-23)13-15-34-18-28(38)22-2-1-14-33-17-22/h1-12,14,16-17,28,34,37-38H,13,15,18-19H2/t28-/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089490
PNG
(4-{5-[(4-Fluoro-phenyl)-(3-methyl-ureido)-methyl]-...)
Show SMILES CNC(=O)NC(c1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C32H32FN7O5S/c1-34-32(42)37-29(22-6-10-25(33)11-7-22)31-38-30(39-45-31)23-8-14-27(15-9-23)46(43,44)40-26-12-4-21(5-13-26)16-18-36-20-28(41)24-3-2-17-35-19-24/h2-15,17,19,28-29,36,40-41H,16,18,20H2,1H3,(H2,34,37,42)/t28-,29?/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089489
PNG
(CHEMBL286437 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc4ccccc4c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C34H31N5O4S/c40-32(29-6-3-18-35-22-29)23-36-19-17-24-8-13-30(14-9-24)39-44(41,42)31-15-11-27(12-16-31)34-37-33(43-38-34)21-25-7-10-26-4-1-2-5-28(26)20-25/h1-16,18,20,22,32,36,39-40H,17,19,21,23H2/t32-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089474
PNG
(4-[5-(4-Fluoro-benzyl)-[1,2,4]oxadiazol-3-yl]-N-{4...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28FN5O4S/c31-25-9-3-22(4-10-25)18-29-34-30(35-40-29)23-7-13-27(14-8-23)41(38,39)36-26-11-5-21(6-12-26)15-17-33-20-28(37)24-2-1-16-32-19-24/h1-14,16,19,28,33,36-37H,15,17-18,20H2/t28-/m0/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089469
PNG
(4-[5-(3-Cyclohexyl-propyl)-[1,2,4]oxadiazol-3-yl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCCC3CCCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C32H39N5O4S/c38-30(27-9-5-20-33-22-27)23-34-21-19-25-11-15-28(16-12-25)37-42(39,40)29-17-13-26(14-18-29)32-35-31(41-36-32)10-4-8-24-6-2-1-3-7-24/h5,9,11-18,20,22,24,30,34,37-38H,1-4,6-8,10,19,21,23H2/t30-/m0/s1
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n/an/a 1.97E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089484
PNG
(CHEMBL285704 | N-{4-[3-(4-{4-[2-((R)-2-Hydroxy-2-p...)
Show SMILES CC(=O)Nc1ccc(OCc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
Show InChI InChI=1S/C32H32N6O6S/c1-22(39)35-26-10-12-28(13-11-26)43-21-31-36-32(37-44-31)24-6-14-29(15-7-24)45(41,42)38-27-8-4-23(5-9-27)16-18-34-20-30(40)25-3-2-17-33-19-25/h2-15,17,19,30,34,38,40H,16,18,20-21H2,1H3,(H,35,39)/t30-/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089473
PNG
(CHEMBL415039 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F3N5O4S/c32-31(33,34)25-9-3-22(4-10-25)18-29-37-30(38-43-29)23-7-13-27(14-8-23)44(41,42)39-26-11-5-21(6-12-26)15-17-36-20-28(40)24-2-1-16-35-19-24/h1-14,16,19,28,36,39-40H,15,17-18,20H2/t28-/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089470
PNG
(4-(5-Heptyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-...)
Show SMILES CCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C30H37N5O4S/c1-2-3-4-5-6-9-29-33-30(34-39-29)24-12-16-27(17-13-24)40(37,38)35-26-14-10-23(11-15-26)18-20-32-22-28(36)25-8-7-19-31-21-25/h7-8,10-17,19,21,28,32,35-36H,2-6,9,18,20,22H2,1H3/t28-/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 cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089487
PNG
(CHEMBL33515 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F3N5O5S/c32-31(33,34)43-26-5-1-3-22(17-26)18-29-37-30(38-44-29)23-8-12-27(13-9-23)45(41,42)39-25-10-6-21(7-11-25)14-16-36-20-28(40)24-4-2-15-35-19-24/h1-13,15,17,19,28,36,39-40H,14,16,18,20H2/t28-/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089495
PNG
(CHEMBL34406 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES COc1ccc(OCc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
Show InChI InChI=1S/C31H31N5O6S/c1-40-26-10-12-27(13-11-26)41-21-30-34-31(35-42-30)23-6-14-28(15-7-23)43(38,39)36-25-8-4-22(5-9-25)16-18-33-20-29(37)24-3-2-17-32-19-24/h2-15,17,19,29,33,36-37H,16,18,20-21H2,1H3/t29-/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089473
PNG
(CHEMBL415039 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F3N5O4S/c32-31(33,34)25-9-3-22(4-10-25)18-29-37-30(38-43-29)23-7-13-27(14-8-23)44(41,42)39-26-11-5-21(6-12-26)15-17-36-20-28(40)24-2-1-16-35-19-24/h1-14,16,19,28,36,39-40H,15,17-18,20H2/t28-/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 to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089485
PNG
(CHEMBL34441 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CS(=O)(=O)Nc1ccc(Cc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
Show InChI InChI=1S/C31H32N6O6S2/c1-44(39,40)36-26-12-6-23(7-13-26)19-30-34-31(35-43-30)24-8-14-28(15-9-24)45(41,42)37-27-10-4-22(5-11-27)16-18-33-21-29(38)25-3-2-17-32-20-25/h2-15,17,20,29,33,36-38H,16,18-19,21H2,1H3/t29-/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089501
PNG
(4-{5-[Amino-(4-fluoro-phenyl)-methyl]-[1,2,4]oxadi...)
Show SMILES NC(c1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H29FN6O4S/c31-24-9-5-21(6-10-24)28(32)30-35-29(36-41-30)22-7-13-26(14-8-22)42(39,40)37-25-11-3-20(4-12-25)15-17-34-19-27(38)23-2-1-16-33-18-23/h1-14,16,18,27-28,34,37-38H,15,17,19,32H2/t27-,28?/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 to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089471
PNG
(4-(5-Hexyl-[1,2,4]oxadiazol-3-yl)-N-{4-[2-((R)-2-h...)
Show SMILES CCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H35N5O4S/c1-2-3-4-5-8-28-32-29(33-38-28)23-11-15-26(16-12-23)39(36,37)34-25-13-9-22(10-14-25)17-19-31-21-27(35)24-7-6-18-30-20-24/h6-7,9-16,18,20,27,31,34-35H,2-5,8,17,19,21H2,1H3/t27-/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 cloned human Beta-1 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089492
PNG
(CHEMBL286438 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(cc3)-c3ccccn3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C35H32N6O4S/c42-33(29-4-3-19-36-23-29)24-37-21-18-25-8-14-30(15-9-25)41-46(43,44)31-16-12-28(13-17-31)35-39-34(45-40-35)22-26-6-10-27(11-7-26)32-5-1-2-20-38-32/h1-17,19-20,23,33,37,41-42H,18,21-22,24H2/t33-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089498
PNG
(4-[5-(3,4-Difluoro-benzyl)-[1,2,4]oxadiazol-3-yl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27F2N5O4S/c31-26-12-5-21(16-27(26)32)17-29-35-30(36-41-29)22-6-10-25(11-7-22)42(39,40)37-24-8-3-20(4-9-24)13-15-34-19-28(38)23-2-1-14-33-18-23/h1-12,14,16,18,28,34,37-38H,13,15,17,19H2/t28-/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089488
PNG
(4-[5-(4-Fluoro-benzoyl)-[1,2,4]oxadiazol-3-yl]-N-{...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(n2)C(=O)c2ccc(F)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H26FN5O5S/c31-24-9-5-21(6-10-24)28(38)30-34-29(35-41-30)22-7-13-26(14-8-22)42(39,40)36-25-11-3-20(4-12-25)15-17-33-19-27(37)23-2-1-16-32-18-23/h1-14,16,18,27,33,36-37H,15,17,19H2/t27-/m0/s1
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n/an/a 2.43E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089483
PNG
(CHEMBL287562 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc4ccccc4c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C34H31N5O5S/c40-32(28-6-3-18-35-21-28)22-36-19-17-24-7-12-29(13-8-24)39-45(41,42)31-15-10-26(11-16-31)34-37-33(44-38-34)23-43-30-14-9-25-4-1-2-5-27(25)20-30/h1-16,18,20-21,32,36,39-40H,17,19,22-23H2/t32-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089465
PNG
(CHEMBL285458 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES CCCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C31H39N5O4S/c1-2-3-4-5-6-7-10-30-34-31(35-40-30)25-13-17-28(18-14-25)41(38,39)36-27-15-11-24(12-16-27)19-21-33-23-29(37)26-9-8-20-32-22-26/h8-9,11-18,20,22,29,33,36-37H,2-7,10,19,21,23H2,1H3/t29-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089475
PNG
(4-[3-(3,4-Difluoro-benzyl)-[1,2,4]oxadiazol-5-yl]-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(Cc3ccc(F)c(F)c3)no2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27F2N5O4S/c31-26-12-5-21(16-27(26)32)17-29-35-30(41-36-29)22-6-10-25(11-7-22)42(39,40)37-24-8-3-20(4-9-24)13-15-34-19-28(38)23-2-1-14-33-18-23/h1-12,14,16,18,28,34,37-38H,13,15,17,19H2/t28-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089491
PNG
(4-{5-[(4-Fluoro-phenyl)-methanesulfonylamino-methy...)
Show SMILES CS(=O)(=O)NC(c1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C31H31FN6O6S2/c1-45(40,41)38-29(22-6-10-25(32)11-7-22)31-35-30(36-44-31)23-8-14-27(15-9-23)46(42,43)37-26-12-4-21(5-13-26)16-18-34-20-28(39)24-3-2-17-33-19-24/h2-15,17,19,28-29,34,37-39H,16,18,20H2,1H3/t28-,29?/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089480
PNG
(4-[5-(2-Hydroxy-phenoxymethyl)-[1,2,4]oxadiazol-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccccc3O)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H29N5O6S/c36-26-5-1-2-6-28(26)40-20-29-33-30(34-41-29)22-9-13-25(14-10-22)42(38,39)35-24-11-7-21(8-12-24)15-17-32-19-27(37)23-4-3-16-31-18-23/h1-14,16,18,27,32,35-37H,15,17,19-20H2/t27-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089481
PNG
(4-{5-[(4-Fluoro-phenyl)-hydroxy-methyl]-[1,2,4]oxa...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(n2)C(O)c2ccc(F)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28FN5O5S/c31-24-9-5-21(6-10-24)28(38)30-34-29(35-41-30)22-7-13-26(14-8-22)42(39,40)36-25-11-3-20(4-12-25)15-17-33-19-27(37)23-2-1-16-32-18-23/h1-14,16,18,27-28,33,36-38H,15,17,19H2/t27-,28?/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089493
PNG
(CHEMBL33155 | {(4-Fluoro-phenyl)-[3-(4-{4-[2-((R)-...)
Show SMILES COC(=O)NC(c1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C32H31FN6O6S/c1-44-32(41)36-29(22-6-10-25(33)11-7-22)31-37-30(38-45-31)23-8-14-27(15-9-23)46(42,43)39-26-12-4-21(5-13-26)16-18-35-20-28(40)24-3-2-17-34-19-24/h2-15,17,19,28-29,35,39-40H,16,18,20H2,1H3,(H,36,41)/t28-,29?/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089468
PNG
(4-[5-(2-Cyclopentyloxy-ethyl)-[1,2,4]oxadiazol-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(CCOC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H35N5O5S/c36-28(24-4-3-17-31-20-24)21-32-18-15-22-7-11-25(12-8-22)35-41(37,38)27-13-9-23(10-14-27)30-33-29(40-34-30)16-19-39-26-5-1-2-6-26/h3-4,7-14,17,20,26,28,32,35-36H,1-2,5-6,15-16,18-19,21H2/t28-/m0/s1
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n/an/a 2.67E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089467
PNG
(CHEMBL33725 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C28H33N5O4S/c1-2-3-4-7-27-31-28(32-37-27)22-10-14-25(15-11-22)38(35,36)33-24-12-8-21(9-13-24)16-18-30-20-26(34)23-6-5-17-29-19-23/h5-6,8-15,17,19,26,30,33-34H,2-4,7,16,18,20H2,1H3/t26-/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 Beta-2 adrenergic receptor prepared from CHO cells expressing the cloned human receptor in the presence of [125I]-iodocyanop...

Bioorg Med Chem Lett 10: 1427-9 (2000)


BindingDB Entry DOI: 10.7270/Q2833R8Z
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089479
PNG
(CHEMBL285499 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H26F3N5O4S/c31-25-14-20(15-26(32)29(25)33)16-28-36-30(37-42-28)21-5-9-24(10-6-21)43(40,41)38-23-7-3-19(4-8-23)11-13-35-18-27(39)22-2-1-12-34-17-22/h1-10,12,14-15,17,27,35,38-39H,11,13,16,18H2/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
Binding affinity to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089485
PNG
(CHEMBL34441 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...)
Show SMILES CS(=O)(=O)Nc1ccc(Cc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
Show InChI InChI=1S/C31H32N6O6S2/c1-44(39,40)36-26-12-6-23(7-13-26)19-30-34-31(35-43-30)24-8-14-28(15-9-24)45(41,42)37-27-10-4-22(5-11-27)16-18-33-21-29(38)25-3-2-17-32-20-25/h2-15,17,20,29,33,36-38H,16,18-19,21H2,1H3/t29-/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 to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089474
PNG
(4-[5-(4-Fluoro-benzyl)-[1,2,4]oxadiazol-3-yl]-N-{4...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28FN5O4S/c31-25-9-3-22(4-10-25)18-29-34-30(35-40-29)23-7-13-27(14-8-23)41(38,39)36-26-11-5-21(6-12-26)15-17-33-20-28(37)24-2-1-16-32-19-24/h1-14,16,19,28,33,36-37H,15,17-18,20H2/t28-/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089476
PNG
(CHEMBL289250 | N-{4-[3-(4-{4-[2-((R)-2-Hydroxy-2-p...)
Show SMILES CC(=O)Nc1ccc(Cc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
Show InChI InChI=1S/C32H32N6O5S/c1-22(39)35-27-10-6-24(7-11-27)19-31-36-32(37-43-31)25-8-14-29(15-9-25)44(41,42)38-28-12-4-23(5-13-28)16-18-34-21-30(40)26-3-2-17-33-20-26/h2-15,17,20,30,34,38,40H,16,18-19,21H2,1H3,(H,35,39)/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089494
PNG
(4-[3-(3,4-Difluoro-phenoxymethyl)-[1,2,4]oxadiazol...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(COc3ccc(F)c(F)c3)no2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27F2N5O5S/c31-26-12-9-24(16-27(26)32)41-19-29-35-30(42-36-29)21-5-10-25(11-6-21)43(39,40)37-23-7-3-20(4-8-23)13-15-34-18-28(38)22-2-1-14-33-17-22/h1-12,14,16-17,28,34,37-38H,13,15,18-19H2/t28-/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 to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089494
PNG
(4-[3-(3,4-Difluoro-phenoxymethyl)-[1,2,4]oxadiazol...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(COc3ccc(F)c(F)c3)no2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27F2N5O5S/c31-26-12-9-24(16-27(26)32)41-19-29-35-30(42-36-29)21-5-10-25(11-6-21)43(39,40)37-23-7-3-20(4-8-23)13-15-34-18-28(38)22-2-1-14-33-17-22/h1-12,14,16-17,28,34,37-38H,13,15,18-19H2/t28-/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089497
PNG
(4-[5-(3,4-Difluoro-phenoxymethyl)-[1,2,4]oxadiazol...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27F2N5O5S/c31-26-12-9-24(16-27(26)32)41-19-29-35-30(36-42-29)21-5-10-25(11-6-21)43(39,40)37-23-7-3-20(4-8-23)13-15-34-18-28(38)22-2-1-14-33-17-22/h1-12,14,16-17,28,34,37-38H,13,15,18-19H2/t28-/m0/s1
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n/an/a 3.66E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089501
PNG
(4-{5-[Amino-(4-fluoro-phenyl)-methyl]-[1,2,4]oxadi...)
Show SMILES NC(c1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H29FN6O4S/c31-24-9-5-21(6-10-24)28(32)30-35-29(36-41-30)22-7-13-26(14-8-22)42(39,40)37-25-11-3-20(4-12-25)15-17-34-19-27(38)23-2-1-16-33-18-23/h1-14,16,18,27-28,34,37-38H,15,17,19,32H2/t27-,28?/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50089486
PNG
(4-[3-(4-Fluoro-phenoxymethyl)-[1,2,4]oxadiazol-5-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(COc3ccc(F)cc3)no2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28FN5O5S/c31-24-7-11-26(12-8-24)40-20-29-34-30(41-35-29)22-5-13-27(14-6-22)42(38,39)36-25-9-3-21(4-10-25)15-17-33-19-28(37)23-2-1-16-32-18-23/h1-14,16,18,28,33,36-37H,15,17,19-20H2/t28-/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 to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089478
PNG
(4-[3-(4-Fluoro-benzyl)-[1,2,4]oxadiazol-5-yl]-N-{4...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(Cc3ccc(F)cc3)no2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28FN5O4S/c31-25-9-3-22(4-10-25)18-29-34-30(40-35-29)23-7-13-27(14-8-23)41(38,39)36-26-11-5-21(6-12-26)15-17-33-20-28(37)24-2-1-16-32-19-24/h1-14,16,19,28,33,36-37H,15,17-18,20H2/t28-/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 to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50089492
PNG
(CHEMBL286438 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(cc3)-c3ccccn3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C35H32N6O4S/c42-33(29-4-3-19-36-23-29)24-37-21-18-25-8-14-30(15-9-25)41-46(43,44)31-16-12-28(13-17-31)35-39-34(45-40-35)22-26-6-10-27(11-7-26)32-5-1-2-20-38-32/h1-17,19-20,23,33,37,41-42H,18,21-22,24H2/t33-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol

Bioorg Med Chem Lett 10: 1431-4 (2000)


BindingDB Entry DOI: 10.7270/Q24B30JM
More data for this
Ligand-Target Pair
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