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PubMed code 10915043

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-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090169
PNG
(CHEMBL39577 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H34N4O4S/c1-2-3-4-7-29-32-21-28(37-29)23-10-14-26(15-11-23)38(35,36)33-25-12-8-22(9-13-25)16-18-31-20-27(34)24-6-5-17-30-19-24/h5-6,8-15,17,19,21,27,31,33-34H,2-4,7,16,18,20H2,1H3/t27-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090160
PNG
(CHEMBL290131 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-...)
Show SMILES CCCCCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C32H40N4O4S/c1-2-3-4-5-6-7-10-32-35-24-31(40-32)26-13-17-29(18-14-26)41(38,39)36-28-15-11-25(12-16-28)19-21-34-23-30(37)27-9-8-20-33-22-27/h8-9,11-18,20,22,24,30,34,36-37H,2-7,10,19,21,23H2,1H3/t30-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090170
PNG
(CHEMBL285520 | N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-e...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
Show InChI InChI=1S/C32H29F3N4O4S/c33-32(34,35)26-9-3-23(4-10-26)18-31-38-29(21-43-31)24-7-13-28(14-8-24)44(41,42)39-27-11-5-22(6-12-27)15-17-37-20-30(40)25-2-1-16-36-19-25/h1-14,16,19,21,30,37,39-40H,15,17-18,20H2/t30-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090155
PNG
(4-[2-(3-Cyclopentyl-propyl)-oxazol-5-yl]-N-{(R)-4-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CCCC3CCCC3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C32H38N4O4S/c37-30(27-8-4-19-33-21-27)22-34-20-18-25-10-14-28(15-11-25)36-41(38,39)29-16-12-26(13-17-29)31-23-35-32(40-31)9-3-7-24-5-1-2-6-24/h4,8,10-17,19,21,23-24,30,34,36-37H,1-3,5-7,9,18,20,22H2/t30-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090160
PNG
(CHEMBL290131 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-...)
Show SMILES CCCCCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C32H40N4O4S/c1-2-3-4-5-6-7-10-32-35-24-31(40-32)26-13-17-29(18-14-26)41(38,39)36-28-15-11-25(12-16-28)19-21-34-23-30(37)27-9-8-20-33-22-27/h8-9,11-18,20,22,24,30,34,36-37H,2-7,10,19,21,23H2,1H3/t30-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090150
PNG
(4-[2-((R)-4-Fluoro-3-fluoro-benzyl)-oxazol-4-yl]-N...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F2N4O4S/c32-27-12-5-22(16-28(27)33)17-31-36-29(20-41-31)23-6-10-26(11-7-23)42(39,40)37-25-8-3-21(4-9-25)13-15-35-19-30(38)24-2-1-14-34-18-24/h1-12,14,16,18,20,30,35,37-38H,13,15,17,19H2/t30-/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090161
PNG
(CHEMBL289316 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C31H27F3N4O4S/c32-26-14-21(15-27(33)31(26)34)16-30-37-19-29(42-30)22-5-9-25(10-6-22)43(40,41)38-24-7-3-20(4-8-24)11-13-36-18-28(39)23-2-1-12-35-17-23/h1-10,12,14-15,17,19,28,36,38-39H,11,13,16,18H2/t28-/m0/s1
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n/an/a 940n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090168
PNG
(4-[2-((R)-4,4-Dimethyl-pentyl)-oxazol-5-yl]-N-{4-[...)
Show SMILES CC(C)(C)CCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-31(2,3)17-4-7-30-34-22-29(39-30)24-10-14-27(15-11-24)40(37,38)35-26-12-8-23(9-13-26)16-19-33-21-28(36)25-6-5-18-32-20-25/h5-6,8-15,18,20,22,28,33,35-36H,4,7,16-17,19,21H2,1-3H3/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
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090155
PNG
(4-[2-(3-Cyclopentyl-propyl)-oxazol-5-yl]-N-{(R)-4-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CCCC3CCCC3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C32H38N4O4S/c37-30(27-8-4-19-33-21-27)22-34-20-18-25-10-14-28(15-11-25)36-41(38,39)29-16-12-26(13-17-29)31-23-35-32(40-31)9-3-7-24-5-1-2-6-24/h4,8,10-17,19,21,23-24,30,34,36-37H,1-3,5-7,9,18,20,22H2/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
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090154
PNG
(4-(2-Hexyl-oxazol-5-yl)-N-{4-[2-((R)-2-hydroxy-2-p...)
Show SMILES CCCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C30H36N4O4S/c1-2-3-4-5-8-30-33-22-29(38-30)24-11-15-27(16-12-24)39(36,37)34-26-13-9-23(10-14-26)17-19-32-21-28(35)25-7-6-18-31-20-25/h6-7,9-16,18,20,22,28,32,34-35H,2-5,8,17,19,21H2,1H3/t28-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090170
PNG
(CHEMBL285520 | N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-e...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
Show InChI InChI=1S/C32H29F3N4O4S/c33-32(34,35)26-9-3-23(4-10-26)18-31-38-29(21-43-31)24-7-13-28(14-8-24)44(41,42)39-27-11-5-22(6-12-27)15-17-37-20-30(40)25-2-1-16-36-19-25/h1-14,16,19,21,30,37,39-40H,15,17-18,20H2/t30-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090151
PNG
(CHEMBL290053 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(n2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Show InChI InChI=1S/C31H27F3N4O4S/c32-31(33,34)25-9-5-23(6-10-25)30-37-28(20-42-30)22-7-13-27(14-8-22)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090153
PNG
(4-[2-((R)-2-Cyclopentyl-ethyl)-oxazol-5-yl]-N-{4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CCC3CCCC3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C31H36N4O4S/c36-29(26-6-3-18-32-20-26)21-33-19-17-24-7-12-27(13-8-24)35-40(37,38)28-14-10-25(11-15-28)30-22-34-31(39-30)16-9-23-4-1-2-5-23/h3,6-8,10-15,18,20,22-23,29,33,35-36H,1-2,4-5,9,16-17,19,21H2/t29-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090148
PNG
(4-[2-((R)-4-Fluoro-3-fluoro-phenyl)-oxazol-4-yl]-N...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(n2)-c2ccc(F)c(F)c2)cc1)c1cccnc1
Show InChI InChI=1S/C30H26F2N4O4S/c31-26-12-7-22(16-27(26)32)30-35-28(19-40-30)21-5-10-25(11-6-21)41(38,39)36-24-8-3-20(4-9-24)13-15-34-18-29(37)23-2-1-14-33-17-23/h1-12,14,16-17,19,29,34,36-37H,13,15,18H2/t29-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090168
PNG
(4-[2-((R)-4,4-Dimethyl-pentyl)-oxazol-5-yl]-N-{4-[...)
Show SMILES CC(C)(C)CCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-31(2,3)17-4-7-30-34-22-29(39-30)24-10-14-27(15-11-24)40(37,38)35-26-12-8-23(9-13-26)16-19-33-21-28(36)25-6-5-18-32-20-25/h5-6,8-15,18,20,22,28,33,35-36H,4,7,16-17,19,21H2,1-3H3/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
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090161
PNG
(CHEMBL289316 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C31H27F3N4O4S/c32-26-14-21(15-27(33)31(26)34)16-30-37-19-29(42-30)22-5-9-25(10-6-22)43(40,41)38-24-7-3-20(4-8-24)11-13-36-18-28(39)23-2-1-12-35-17-23/h1-10,12,14-15,17,19,28,36,38-39H,11,13,16,18H2/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
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090158
PNG
(4-[2-((R)-2-Cyclopentyl-ethyl)-oxazol-4-yl]-N-{4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(CCC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H36N4O4S/c36-30(26-6-3-18-32-20-26)21-33-19-17-24-7-12-27(13-8-24)35-40(37,38)28-14-10-25(11-15-28)29-22-39-31(34-29)16-9-23-4-1-2-5-23/h3,6-8,10-15,18,20,22-23,30,33,35-36H,1-2,4-5,9,16-17,19,21H2/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
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090151
PNG
(CHEMBL290053 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(n2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Show InChI InChI=1S/C31H27F3N4O4S/c32-31(33,34)25-9-5-23(6-10-25)30-37-28(20-42-30)22-7-13-27(14-8-22)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/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
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090148
PNG
(4-[2-((R)-4-Fluoro-3-fluoro-phenyl)-oxazol-4-yl]-N...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(n2)-c2ccc(F)c(F)c2)cc1)c1cccnc1
Show InChI InChI=1S/C30H26F2N4O4S/c31-26-12-7-22(16-27(26)32)30-35-28(19-40-30)21-5-10-25(11-6-21)41(38,39)36-24-8-3-20(4-9-24)13-15-34-18-29(37)23-2-1-14-33-17-23/h1-12,14,16-17,19,29,34,36-37H,13,15,18H2/t29-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090150
PNG
(4-[2-((R)-4-Fluoro-3-fluoro-benzyl)-oxazol-4-yl]-N...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F2N4O4S/c32-27-12-5-22(16-28(27)33)17-31-36-29(20-41-31)23-6-10-26(11-7-23)42(39,40)37-25-8-3-21(4-9-25)13-15-35-19-30(38)24-2-1-14-34-18-24/h1-12,14,16,18,20,30,35,37-38H,13,15,17,19H2/t30-/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
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090149
PNG
(4-(2-Cyclopentylmethyl-oxazol-5-yl)-N-{(R)-4-[2-(2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CC3CCCC3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C30H34N4O4S/c35-28(25-6-3-16-31-19-25)20-32-17-15-22-7-11-26(12-8-22)34-39(36,37)27-13-9-24(10-14-27)29-21-33-30(38-29)18-23-4-1-2-5-23/h3,6-14,16,19,21,23,28,32,34-35H,1-2,4-5,15,17-18,20H2/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
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090159
PNG
(BN-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)...)
Show SMILES Cc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H26N4O4S/c1-18-28-17-25(33-18)20-6-10-23(11-7-20)34(31,32)29-22-8-4-19(5-9-22)12-14-27-16-24(30)21-3-2-13-26-15-21/h2-11,13,15,17,24,27,29-30H,12,14,16H2,1H3/t24-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090167
PNG
(CHEMBL39269 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28N4O4S/c35-28(25-7-4-17-31-19-25)20-32-18-16-22-8-12-26(13-9-22)34-39(36,37)27-14-10-23(11-15-27)29-21-33-30(38-29)24-5-2-1-3-6-24/h1-15,17,19,21,28,32,34-35H,16,18,20H2/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
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090162
PNG
(4-[2-(3,4-Difluoro-phenyl)-oxazol-5-yl]-N-{(R)-4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccc(F)c(F)c2)cc1)c1cccnc1
Show InChI InChI=1S/C30H26F2N4O4S/c31-26-12-7-22(16-27(26)32)30-35-19-29(40-30)21-5-10-25(11-6-21)41(38,39)36-24-8-3-20(4-9-24)13-15-34-18-28(37)23-2-1-14-33-17-23/h1-12,14,16-17,19,28,34,36-37H,13,15,18H2/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
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090163
PNG
(4-[2-((R)-4-Fluoro-benzyl)-oxazol-4-yl]-N-{4-[2-(2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H29FN4O4S/c32-26-9-3-23(4-10-26)18-31-35-29(21-40-31)24-7-13-28(14-8-24)41(38,39)36-27-11-5-22(6-12-27)15-17-34-20-30(37)25-2-1-16-33-19-25/h1-14,16,19,21,30,34,36-37H,15,17-18,20H2/t30-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090165
PNG
(4-[2-((R)-4-Fluoro-3-fluoro-phenoxymethyl)-oxazol-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F2N4O5S/c32-27-12-9-25(16-28(27)33)41-20-31-36-29(19-42-31)22-5-10-26(11-6-22)43(39,40)37-24-7-3-21(4-8-24)13-15-35-18-30(38)23-2-1-14-34-17-23/h1-12,14,16-17,19,30,35,37-38H,13,15,18,20H2/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
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090167
PNG
(CHEMBL39269 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28N4O4S/c35-28(25-7-4-17-31-19-25)20-32-18-16-22-8-12-26(13-9-22)34-39(36,37)27-14-10-23(11-15-27)29-21-33-30(38-29)24-5-2-1-3-6-24/h1-15,17,19,21,28,32,34-35H,16,18,20H2/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
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090158
PNG
(4-[2-((R)-2-Cyclopentyl-ethyl)-oxazol-4-yl]-N-{4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(CCC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H36N4O4S/c36-30(26-6-3-18-32-20-26)21-33-19-17-24-7-12-27(13-8-24)35-40(37,38)28-14-10-25(11-15-28)29-22-39-31(34-29)16-9-23-4-1-2-5-23/h3,6-8,10-15,18,20,22-23,30,33,35-36H,1-2,4-5,9,16-17,19,21H2/t30-/m0/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090169
PNG
(CHEMBL39577 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H34N4O4S/c1-2-3-4-7-29-32-21-28(37-29)23-10-14-26(15-11-23)38(35,36)33-25-12-8-22(9-13-25)16-18-31-20-27(34)24-6-5-17-30-19-24/h5-6,8-15,17,19,21,27,31,33-34H,2-4,7,16,18,20H2,1H3/t27-/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
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090163
PNG
(4-[2-((R)-4-Fluoro-benzyl)-oxazol-4-yl]-N-{4-[2-(2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H29FN4O4S/c32-26-9-3-23(4-10-26)18-31-35-29(21-40-31)24-7-13-28(14-8-24)41(38,39)36-27-11-5-22(6-12-27)15-17-34-20-30(37)25-2-1-16-33-19-25/h1-14,16,19,21,30,34,36-37H,15,17-18,20H2/t30-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090157
PNG
(4-[2-(3,4-Difluoro-benzyl)-oxazol-5-yl]-N-{4-[2-((...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F2N4O4S/c32-27-12-5-22(16-28(27)33)17-31-36-20-30(41-31)23-6-10-26(11-7-23)42(39,40)37-25-8-3-21(4-9-25)13-15-35-19-29(38)24-2-1-14-34-18-24/h1-12,14,16,18,20,29,35,37-38H,13,15,17,19H2/t29-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090153
PNG
(4-[2-((R)-2-Cyclopentyl-ethyl)-oxazol-5-yl]-N-{4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CCC3CCCC3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C31H36N4O4S/c36-29(26-6-3-18-32-20-26)21-33-19-17-24-7-12-27(13-8-24)35-40(37,38)28-14-10-25(11-15-28)30-22-34-31(39-30)16-9-23-4-1-2-5-23/h3,6-8,10-15,18,20,22-23,29,33,35-36H,1-2,4-5,9,16-17,19,21H2/t29-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090154
PNG
(4-(2-Hexyl-oxazol-5-yl)-N-{4-[2-((R)-2-hydroxy-2-p...)
Show SMILES CCCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C30H36N4O4S/c1-2-3-4-5-8-30-33-22-29(38-30)24-11-15-27(16-12-24)39(36,37)34-26-13-9-23(10-14-26)17-19-32-21-28(35)25-7-6-18-31-20-25/h6-7,9-16,18,20,22,28,32,34-35H,2-5,8,17,19,21H2,1H3/t28-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090165
PNG
(4-[2-((R)-4-Fluoro-3-fluoro-phenoxymethyl)-oxazol-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F2N4O5S/c32-27-12-9-25(16-28(27)33)41-20-31-36-29(19-42-31)22-5-10-26(11-6-22)43(39,40)37-24-7-3-21(4-8-24)13-15-35-18-30(38)23-2-1-14-34-17-23/h1-12,14,16-17,19,30,35,37-38H,13,15,18,20H2/t30-/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
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090152
PNG
(4-[2-((R)-4-Fluoro-phenoxymethyl)-oxazol-4-yl]-N-{...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H29FN4O5S/c32-25-7-11-27(12-8-25)40-21-31-35-29(20-41-31)23-5-13-28(14-6-23)42(38,39)36-26-9-3-22(4-10-26)15-17-34-19-30(37)24-2-1-16-33-18-24/h1-14,16,18,20,30,34,36-37H,15,17,19,21H2/t30-/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
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090164
PNG
(4-[2-((R)-4-Fluoro-phenyl)-oxazol-5-yl]-N-{4-[2-(2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccc(F)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27FN4O4S/c31-25-9-5-23(6-10-25)30-34-20-29(39-30)22-7-13-27(14-8-22)40(37,38)35-26-11-3-21(4-12-26)15-17-33-19-28(36)24-2-1-16-32-18-24/h1-14,16,18,20,28,33,35-36H,15,17,19H2/t28-/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
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090159
PNG
(BN-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)...)
Show SMILES Cc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H26N4O4S/c1-18-28-17-25(33-18)20-6-10-23(11-7-20)34(31,32)29-22-8-4-19(5-9-22)12-14-27-16-24(30)21-3-2-13-26-15-21/h2-11,13,15,17,24,27,29-30H,12,14,16H2,1H3/t24-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090157
PNG
(4-[2-(3,4-Difluoro-benzyl)-oxazol-5-yl]-N-{4-[2-((...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F2N4O4S/c32-27-12-5-22(16-28(27)33)17-31-36-20-30(41-31)23-6-10-26(11-7-23)42(39,40)37-25-8-3-21(4-9-25)13-15-35-19-29(38)24-2-1-14-34-18-24/h1-12,14,16,18,20,29,35,37-38H,13,15,17,19H2/t29-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090149
PNG
(4-(2-Cyclopentylmethyl-oxazol-5-yl)-N-{(R)-4-[2-(2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CC3CCCC3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C30H34N4O4S/c35-28(25-6-3-16-31-19-25)20-32-17-15-22-7-11-26(12-8-22)34-39(36,37)27-13-9-24(10-14-27)29-21-33-30(38-29)18-23-4-1-2-5-23/h3,6-14,16,19,21,23,28,32,34-35H,1-2,4-5,15,17-18,20H2/t28-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090152
PNG
(4-[2-((R)-4-Fluoro-phenoxymethyl)-oxazol-4-yl]-N-{...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H29FN4O5S/c32-25-7-11-27(12-8-25)40-21-31-35-29(20-41-31)23-5-13-28(14-6-23)42(38,39)36-26-9-3-22(4-10-26)15-17-34-19-30(37)24-2-1-16-33-18-24/h1-14,16,18,20,30,34,36-37H,15,17,19,21H2/t30-/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
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090166
PNG
(CHEMBL38861 | N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-et...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
Show InChI InChI=1S/C32H29F3N4O5S/c33-32(34,35)25-7-11-27(12-8-25)43-21-31-38-29(20-44-31)23-5-13-28(14-6-23)45(41,42)39-26-9-3-22(4-10-26)15-17-37-19-30(40)24-2-1-16-36-18-24/h1-14,16,18,20,30,37,39-40H,15,17,19,21H2/t30-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090164
PNG
(4-[2-((R)-4-Fluoro-phenyl)-oxazol-5-yl]-N-{4-[2-(2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccc(F)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27FN4O4S/c31-25-9-5-23(6-10-25)30-34-20-29(39-30)22-7-13-27(14-8-22)40(37,38)35-26-11-3-21(4-12-26)15-17-33-19-28(36)24-2-1-16-32-18-24/h1-14,16,18,20,28,33,35-36H,15,17,19H2/t28-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50090156
PNG
(CHEMBL37512 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-y...)
Show SMILES Cc1nc(co1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H26N4O4S/c1-18-28-24(17-33-18)20-6-10-23(11-7-20)34(31,32)29-22-8-4-19(5-9-22)12-14-27-16-25(30)21-3-2-13-26-15-21/h2-11,13,15,17,25,27,29-30H,12,14,16H2,1H3/t25-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-2 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090162
PNG
(4-[2-(3,4-Difluoro-phenyl)-oxazol-5-yl]-N-{(R)-4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccc(F)c(F)c2)cc1)c1cccnc1
Show InChI InChI=1S/C30H26F2N4O4S/c31-26-12-7-22(16-27(26)32)30-35-19-29(40-30)21-5-10-25(11-6-21)41(38,39)36-24-8-3-20(4-9-24)13-15-34-18-28(37)23-2-1-14-33-17-23/h1-12,14,16-17,19,28,34,36-37H,13,15,18H2/t28-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090156
PNG
(CHEMBL37512 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-y...)
Show SMILES Cc1nc(co1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H26N4O4S/c1-18-28-24(17-33-18)20-6-10-23(11-7-20)34(31,32)29-22-8-4-19(5-9-22)12-14-27-16-25(30)21-3-2-13-26-15-21/h2-11,13,15,17,25,27,29-30H,12,14,16H2,1H3/t25-/m0/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50090166
PNG
(CHEMBL38861 | N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-et...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
Show InChI InChI=1S/C32H29F3N4O5S/c33-32(34,35)25-7-11-27(12-8-25)43-21-31-38-29(20-44-31)23-5-13-28(14-6-23)45(41,42)39-26-9-3-22(4-10-26)15-17-37-19-30(40)24-2-1-16-36-18-24/h1-14,16,18,20,30,37,39-40H,15,17,19,21H2/t30-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090162
PNG
(4-[2-(3,4-Difluoro-phenyl)-oxazol-5-yl]-N-{(R)-4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccc(F)c(F)c2)cc1)c1cccnc1
Show InChI InChI=1S/C30H26F2N4O4S/c31-26-12-7-22(16-27(26)32)30-35-19-29(40-30)21-5-10-25(11-6-21)41(38,39)36-24-8-3-20(4-9-24)13-15-34-18-28(37)23-2-1-14-33-17-23/h1-12,14,16-17,19,28,34,36-37H,13,15,18H2/t28-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090151
PNG
(CHEMBL290053 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(n2)-c2ccc(cc2)C(F)(F)F)cc1)c1cccnc1
Show InChI InChI=1S/C31H27F3N4O4S/c32-31(33,34)25-9-5-23(6-10-25)30-37-28(20-42-30)22-7-13-27(14-8-22)43(40,41)38-26-11-3-21(4-12-26)15-17-36-19-29(39)24-2-1-16-35-18-24/h1-14,16,18,20,29,36,38-39H,15,17,19H2/t29-/m0/s1
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n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090158
PNG
(4-[2-((R)-2-Cyclopentyl-ethyl)-oxazol-4-yl]-N-{4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(CCC3CCCC3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H36N4O4S/c36-30(26-6-3-18-32-20-26)21-33-19-17-24-7-12-27(13-8-24)35-40(37,38)28-14-10-25(11-15-28)29-22-39-31(34-29)16-9-23-4-1-2-5-23/h3,6-8,10-15,18,20,22-23,30,33,35-36H,1-2,4-5,9,16-17,19,21H2/t30-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090167
PNG
(CHEMBL39269 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-y...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccccc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H28N4O4S/c35-28(25-7-4-17-31-19-25)20-32-18-16-22-8-12-26(13-9-22)34-39(36,37)27-14-10-23(11-15-27)29-21-33-30(38-29)24-5-2-1-3-6-24/h1-15,17,19,21,28,32,34-35H,16,18,20H2/t28-/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090152
PNG
(4-[2-((R)-4-Fluoro-phenoxymethyl)-oxazol-4-yl]-N-{...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H29FN4O5S/c32-25-7-11-27(12-8-25)40-21-31-35-29(20-41-31)23-5-13-28(14-6-23)42(38,39)36-26-9-3-22(4-10-26)15-17-34-19-30(37)24-2-1-16-33-18-24/h1-14,16,18,20,30,34,36-37H,15,17,19,21H2/t30-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090156
PNG
(CHEMBL37512 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-y...)
Show SMILES Cc1nc(co1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H26N4O4S/c1-18-28-24(17-33-18)20-6-10-23(11-7-20)34(31,32)29-22-8-4-19(5-9-22)12-14-27-16-25(30)21-3-2-13-26-15-21/h2-11,13,15,17,25,27,29-30H,12,14,16H2,1H3/t25-/m0/s1
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n/an/an/an/a 76n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090150
PNG
(4-[2-((R)-4-Fluoro-3-fluoro-benzyl)-oxazol-4-yl]-N...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F2N4O4S/c32-27-12-5-22(16-28(27)33)17-31-36-29(20-41-31)23-6-10-26(11-7-23)42(39,40)37-25-8-3-21(4-9-25)13-15-35-19-30(38)24-2-1-14-34-18-24/h1-12,14,16,18,20,30,35,37-38H,13,15,17,19H2/t30-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090168
PNG
(4-[2-((R)-4,4-Dimethyl-pentyl)-oxazol-5-yl]-N-{4-[...)
Show SMILES CC(C)(C)CCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C31H38N4O4S/c1-31(2,3)17-4-7-30-34-22-29(39-30)24-10-14-27(15-11-24)40(37,38)35-26-12-8-23(9-13-26)16-19-33-21-28(36)25-6-5-18-32-20-25/h5-6,8-15,18,20,22,28,33,35-36H,4,7,16-17,19,21H2,1-3H3/t28-/m0/s1
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n/an/an/an/a 230n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090161
PNG
(CHEMBL289316 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C31H27F3N4O4S/c32-26-14-21(15-27(33)31(26)34)16-30-37-19-29(42-30)22-5-9-25(10-6-22)43(40,41)38-24-7-3-20(4-8-24)11-13-36-18-28(39)23-2-1-12-35-17-23/h1-10,12,14-15,17,19,28,36,38-39H,11,13,16,18H2/t28-/m0/s1
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n/an/an/an/a 9.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090153
PNG
(4-[2-((R)-2-Cyclopentyl-ethyl)-oxazol-5-yl]-N-{4-[...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CCC3CCCC3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C31H36N4O4S/c36-29(26-6-3-18-32-20-26)21-33-19-17-24-7-12-27(13-8-24)35-40(37,38)28-14-10-25(11-15-28)30-22-34-31(39-30)16-9-23-4-1-2-5-23/h3,6-8,10-15,18,20,22-23,29,33,35-36H,1-2,4-5,9,16-17,19,21H2/t29-/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090159
PNG
(BN-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)...)
Show SMILES Cc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H26N4O4S/c1-18-28-17-25(33-18)20-6-10-23(11-7-20)34(31,32)29-22-8-4-19(5-9-22)12-14-27-16-24(30)21-3-2-13-26-15-21/h2-11,13,15,17,24,27,29-30H,12,14,16H2,1H3/t24-/m0/s1
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n/an/an/an/a>100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090163
PNG
(4-[2-((R)-4-Fluoro-benzyl)-oxazol-4-yl]-N-{4-[2-(2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(F)cc3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H29FN4O4S/c32-26-9-3-23(4-10-26)18-31-35-29(21-40-31)24-7-13-28(14-8-24)41(38,39)36-27-11-5-22(6-12-27)15-17-34-20-30(37)25-2-1-16-33-19-25/h1-14,16,19,21,30,34,36-37H,15,17-18,20H2/t30-/m0/s1
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n/an/an/an/a 5.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090149
PNG
(4-(2-Cyclopentylmethyl-oxazol-5-yl)-N-{(R)-4-[2-(2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CC3CCCC3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C30H34N4O4S/c35-28(25-6-3-16-31-19-25)20-32-17-15-22-7-11-26(12-8-22)34-39(36,37)27-13-9-24(10-14-27)29-21-33-30(38-29)18-23-4-1-2-5-23/h3,6-14,16,19,21,23,28,32,34-35H,1-2,4-5,15,17-18,20H2/t28-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090166
PNG
(CHEMBL38861 | N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-et...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
Show InChI InChI=1S/C32H29F3N4O5S/c33-32(34,35)25-7-11-27(12-8-25)43-21-31-38-29(20-44-31)23-5-13-28(14-6-23)45(41,42)39-26-9-3-22(4-10-26)15-17-37-19-30(40)24-2-1-16-36-18-24/h1-14,16,18,20,30,37,39-40H,15,17,19,21H2/t30-/m0/s1
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n/an/an/an/a 210n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090160
PNG
(CHEMBL290131 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-...)
Show SMILES CCCCCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C32H40N4O4S/c1-2-3-4-5-6-7-10-32-35-24-31(40-32)26-13-17-29(18-14-26)41(38,39)36-28-15-11-25(12-16-28)19-21-34-23-30(37)27-9-8-20-33-22-27/h8-9,11-18,20,22,24,30,34,36-37H,2-7,10,19,21,23H2,1H3/t30-/m0/s1
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n/an/an/an/a 12n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090169
PNG
(CHEMBL39577 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-y...)
Show SMILES CCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C29H34N4O4S/c1-2-3-4-7-29-32-21-28(37-29)23-10-14-26(15-11-23)38(35,36)33-25-12-8-22(9-13-25)16-18-31-20-27(34)24-6-5-17-30-19-24/h5-6,8-15,17,19,21,27,31,33-34H,2-4,7,16,18,20H2,1H3/t27-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090157
PNG
(4-[2-(3,4-Difluoro-benzyl)-oxazol-5-yl]-N-{4-[2-((...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F2N4O4S/c32-27-12-5-22(16-28(27)33)17-31-36-20-30(41-31)23-6-10-26(11-7-23)42(39,40)37-25-8-3-21(4-9-25)13-15-35-19-29(38)24-2-1-14-34-18-24/h1-12,14,16,18,20,29,35,37-38H,13,15,17,19H2/t29-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090165
PNG
(4-[2-((R)-4-Fluoro-3-fluoro-phenoxymethyl)-oxazol-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1
Show InChI InChI=1S/C31H28F2N4O5S/c32-27-12-9-25(16-28(27)33)41-20-31-36-29(19-42-31)22-5-10-26(11-6-22)43(39,40)37-24-7-3-21(4-8-24)13-15-35-18-30(38)23-2-1-14-34-17-23/h1-12,14,16-17,19,30,35,37-38H,13,15,18,20H2/t30-/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090148
PNG
(4-[2-((R)-4-Fluoro-3-fluoro-phenyl)-oxazol-4-yl]-N...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(n2)-c2ccc(F)c(F)c2)cc1)c1cccnc1
Show InChI InChI=1S/C30H26F2N4O4S/c31-26-12-7-22(16-27(26)32)30-35-28(19-40-30)21-5-10-25(11-6-21)41(38,39)36-24-8-3-20(4-9-24)13-15-34-18-29(37)23-2-1-14-33-17-23/h1-12,14,16-17,19,29,34,36-37H,13,15,18H2/t29-/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090170
PNG
(CHEMBL285520 | N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-e...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2coc(Cc3ccc(cc3)C(F)(F)F)n2)cc1)c1cccnc1
Show InChI InChI=1S/C32H29F3N4O4S/c33-32(34,35)26-9-3-23(4-10-26)18-31-38-29(21-43-31)24-7-13-28(14-8-24)44(41,42)39-27-11-5-22(6-12-27)15-17-37-20-30(40)25-2-1-16-36-19-25/h1-14,16,19,21,30,37,39-40H,15,17-18,20H2/t30-/m0/s1
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n/an/an/an/a 4.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090154
PNG
(4-(2-Hexyl-oxazol-5-yl)-N-{4-[2-((R)-2-hydroxy-2-p...)
Show SMILES CCCCCCc1ncc(o1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C30H36N4O4S/c1-2-3-4-5-8-30-33-22-29(38-30)24-11-15-27(16-12-24)39(36,37)34-26-13-9-23(10-14-26)17-19-32-21-28(35)25-7-6-18-31-20-25/h6-7,9-16,18,20,22,28,32,34-35H,2-5,8,17,19,21H2,1H3/t28-/m0/s1
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n/an/an/an/a 34n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090155
PNG
(4-[2-(3-Cyclopentyl-propyl)-oxazol-5-yl]-N-{(R)-4-...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(CCCC3CCCC3)o2)cc1)c1cccnc1
Show InChI InChI=1S/C32H38N4O4S/c37-30(27-8-4-19-33-21-27)22-34-20-18-25-10-14-28(15-11-25)36-41(38,39)29-16-12-26(13-17-29)31-23-35-32(40-31)9-3-7-24-5-1-2-6-24/h4,8,10-17,19,21,23-24,30,34,36-37H,1-3,5-7,9,18,20,22H2/t30-/m0/s1
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n/an/an/an/a 5.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50090164
PNG
(4-[2-((R)-4-Fluoro-phenyl)-oxazol-5-yl]-N-{4-[2-(2...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2cnc(o2)-c2ccc(F)cc2)cc1)c1cccnc1
Show InChI InChI=1S/C30H27FN4O4S/c31-25-9-5-23(6-10-25)30-34-20-29(39-30)22-7-13-27(14-8-22)40(37,38)35-26-11-3-21(4-12-26)15-17-33-19-28(36)24-2-1-16-32-18-24/h1-14,16,18,20,28,33,35-36H,15,17,19H2/t28-/m0/s1
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UniChem

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n/an/an/an/a 37n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro efficacy at beta-3 adrenoceptors, quantified by measuring intracellular cAMP.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%