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14 similar compounds to monomer 50070172

Compile data set for download or QSAR
Wt: 584.7
BDBM50070156
Purchase
Wt: 572.6
BDBM50070159
Wt: 570.7
BDBM50070161
Wt: 542.6
BDBM50070165
Wt: 598.7
BDBM50070167
Wt: 598.7
BDBM50070170
Wt: 612.7
BDBM50070171
Wt: 514.5
BDBM50070174
Wt: 612.7
BDBM50070176
Wt: 542.6
BDBM50070177
Wt: 598.7
BDBM50070179
Wt: 584.7
BDBM50070180
Wt: 569.7
BDBM50071293
Wt: 612.7
BDBM50311092

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 50 hits for monomerid = 50070156,50070159,50070161,50070165,50070167,50070170,50070171,50070174,50070176,50070177,50070179,50070180,50071293,50311092   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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160n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of I-iodocyanopindolol binding to human beta 2 adrenergic receptors


J Med Chem 44: 1456-66 (2001)


Article DOI: 10.1021/jm000544b
BindingDB Entry DOI: 10.7270/Q2T72J53
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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570n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors


J Med Chem 44: 1456-66 (2001)


Article DOI: 10.1021/jm000544b
BindingDB Entry DOI: 10.7270/Q2T72J53
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070159
PNG
(CHEMBL13521 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES COCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H36N4O7S/c1-38-18-2-16-30-28(35)31-22-7-13-27(14-8-22)40(36,37)32-23-5-3-21(4-6-23)15-17-29-19-25(34)20-39-26-11-9-24(33)10-12-26/h3-14,25,29,32-34H,2,15-20H2,1H3,(H2,30,31,35)/t25-/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 affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070165
PNG
(CHEMBL275291 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-19(2)29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-16-28-17-24(33)18-37-25-11-9-23(32)10-12-25/h3-14,19,24,28,31-33H,15-18H2,1-2H3,(H2,29,30,34)/t24-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070179
PNG
(4-(3-Hexyl-3-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCN(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-21-35(2)31(38)33-25-11-17-30(18-12-25)42(39,40)34-26-9-7-24(8-10-26)19-20-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070174
PNG
(CHEMBL13398 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H30N4O6S/c1-26-25(32)28-19-6-12-24(13-7-19)36(33,34)29-20-4-2-18(3-5-20)14-15-27-16-22(31)17-35-23-10-8-21(30)9-11-23/h2-13,22,27,29-31H,14-17H2,1H3,(H2,26,28,32)/t22-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070176
PNG
(4-(3-Hexyl-1,3-dimethyl-ureido)-N-(4-{2-[(S)-2-hyd...)
Show SMILES CCCCCCN(C)C(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-4-5-6-7-22-35(2)32(39)36(3)27-12-18-31(19-13-27)43(40,41)34-26-10-8-25(9-11-26)20-21-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33-34,37-38H,4-7,20-24H2,1-3H3/t29-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070170
PNG
(4-(3-Hexyl-1-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCNC(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-20-33-31(38)35(2)26-11-17-30(18-12-26)42(39,40)34-25-9-7-24(8-10-25)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070161
PNG
(CHEMBL13459 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H38N4O6S/c1-2-3-4-18-31-29(36)32-23-9-15-28(16-10-23)40(37,38)33-24-7-5-22(6-8-24)17-19-30-20-26(35)21-39-27-13-11-25(34)12-14-27/h5-16,26,30,33-35H,2-4,17-21H2,1H3,(H2,31,32,36)/t26-/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 affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070167
PNG
(4-(3-Heptyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(4-hy...)
Show SMILES CCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-2-3-4-5-6-20-33-31(38)34-25-11-17-30(18-12-25)42(39,40)35-26-9-7-24(8-10-26)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,35-37H,2-6,19-23H2,1H3,(H2,33,34,38)/t28-/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 affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070171
PNG
(CHEMBL13467 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-2-3-4-5-6-7-21-34-32(39)35-26-12-18-31(19-13-26)43(40,41)36-27-10-8-25(9-11-27)20-22-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33,36-38H,2-7,20-24H2,1H3,(H2,34,35,39)/t29-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070177
PNG
(CHEMBL275511 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-2-16-29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-17-28-18-24(33)19-37-25-11-9-23(32)10-12-25/h3-14,24,28,31-33H,2,15-19H2,1H3,(H2,29,30,34)/t24-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-2 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 0.430n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonism against Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 3087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00571-x
BindingDB Entry DOI: 10.7270/Q25H7FF6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50071293
PNG
(4-(3-Hexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(pyrid...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C29H39N5O5S/c1-2-3-4-5-18-32-29(36)33-24-12-14-28(15-13-24)40(37,38)34-25-10-8-23(9-11-25)16-19-31-20-26(35)22-39-27-7-6-17-30-21-27/h6-15,17,21,26,31,34-35H,2-5,16,18-20,22H2,1H3,(H2,32,33,36)/t26-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-1 adrenergic receptor in membranes from chinese hamster ovary cell


Bioorg Med Chem Lett 8: 2111-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00381-3
BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50071293
PNG
(4-(3-Hexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(pyrid...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C29H39N5O5S/c1-2-3-4-5-18-32-29(36)33-24-12-14-28(15-13-24)40(37,38)34-25-10-8-23(9-11-25)16-19-31-20-26(35)22-39-27-7-6-17-30-21-27/h6-15,17,21,26,31,34-35H,2-5,16,18-20,22H2,1H3,(H2,32,33,36)/t26-/m0/s1
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n/an/an/an/a 3.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 2111-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00381-3
BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 0.430n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity against human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 2111-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00381-3
BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070159
PNG
(CHEMBL13521 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES COCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H36N4O7S/c1-38-18-2-16-30-28(35)31-22-7-13-27(14-8-22)40(36,37)32-23-5-3-21(4-6-23)15-17-29-19-25(34)20-39-26-11-9-24(33)10-12-26/h3-14,25,29,32-34H,2,15-20H2,1H3,(H2,30,31,35)/t25-/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070161
PNG
(CHEMBL13459 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H38N4O6S/c1-2-3-4-18-31-29(36)32-23-9-15-28(16-10-23)40(37,38)33-24-7-5-22(6-8-24)17-19-30-20-26(35)21-39-27-13-11-25(34)12-14-27/h5-16,26,30,33-35H,2-4,17-21H2,1H3,(H2,31,32,36)/t26-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070165
PNG
(CHEMBL275291 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-19(2)29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-16-28-17-24(33)18-37-25-11-9-23(32)10-12-25/h3-14,19,24,28,31-33H,15-18H2,1-2H3,(H2,29,30,34)/t24-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070167
PNG
(4-(3-Heptyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(4-hy...)
Show SMILES CCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-2-3-4-5-6-20-33-31(38)34-25-11-17-30(18-12-25)42(39,40)35-26-9-7-24(8-10-26)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,35-37H,2-6,19-23H2,1H3,(H2,33,34,38)/t28-/m0/s1
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n/an/an/an/a 2.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070170
PNG
(4-(3-Hexyl-1-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCNC(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-20-33-31(38)35(2)26-11-17-30(18-12-26)42(39,40)34-25-9-7-24(8-10-25)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/an/an/a 6.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 0.430n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070161
PNG
(CHEMBL13459 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H38N4O6S/c1-2-3-4-18-31-29(36)32-23-9-15-28(16-10-23)40(37,38)33-24-7-5-22(6-8-24)17-19-30-20-26(35)21-39-27-13-11-25(34)12-14-27/h5-16,26,30,33-35H,2-4,17-21H2,1H3,(H2,31,32,36)/t26-/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
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070174
PNG
(CHEMBL13398 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H30N4O6S/c1-26-25(32)28-19-6-12-24(13-7-19)36(33,34)29-20-4-2-18(3-5-20)14-15-27-16-22(31)17-35-23-10-8-21(30)9-11-23/h2-13,22,27,29-31H,14-17H2,1H3,(H2,26,28,32)/t22-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070165
PNG
(CHEMBL275291 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CC(C)NC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-19(2)29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-16-28-17-24(33)18-37-25-11-9-23(32)10-12-25/h3-14,19,24,28,31-33H,15-18H2,1-2H3,(H2,29,30,34)/t24-/m0/s1
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n/an/an/an/a 1.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070170
PNG
(4-(3-Hexyl-1-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCNC(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-20-33-31(38)35(2)26-11-17-30(18-12-26)42(39,40)34-25-9-7-24(8-10-25)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070174
PNG
(CHEMBL13398 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H30N4O6S/c1-26-25(32)28-19-6-12-24(13-7-19)36(33,34)29-20-4-2-18(3-5-20)14-15-27-16-22(31)17-35-23-10-8-21(30)9-11-23/h2-13,22,27,29-31H,14-17H2,1H3,(H2,26,28,32)/t22-/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 affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070177
PNG
(CHEMBL275511 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-2-16-29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-17-28-18-24(33)19-37-25-11-9-23(32)10-12-25/h3-14,24,28,31-33H,2,15-19H2,1H3,(H2,29,30,34)/t24-/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070177
PNG
(CHEMBL275511 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)
Show SMILES CCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C27H34N4O6S/c1-2-16-29-27(34)30-21-7-13-26(14-8-21)38(35,36)31-22-5-3-20(4-6-22)15-17-28-18-24(33)19-37-25-11-9-23(32)10-12-25/h3-14,24,28,31-33H,2,15-19H2,1H3,(H2,29,30,34)/t24-/m0/s1
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n/an/a 540n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070167
PNG
(4-(3-Heptyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(4-hy...)
Show SMILES CCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-2-3-4-5-6-20-33-31(38)34-25-11-17-30(18-12-25)42(39,40)35-26-9-7-24(8-10-26)19-21-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,35-37H,2-6,19-23H2,1H3,(H2,33,34,38)/t28-/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 affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070179
PNG
(4-(3-Hexyl-3-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCN(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-21-35(2)31(38)33-25-11-17-30(18-12-25)42(39,40)34-26-9-7-24(8-10-26)19-20-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070159
PNG
(CHEMBL13521 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES COCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C28H36N4O7S/c1-38-18-2-16-30-28(35)31-22-7-13-27(14-8-22)40(36,37)32-23-5-3-21(4-6-23)15-17-29-19-25(34)20-39-26-11-9-24(33)10-12-26/h3-14,25,29,32-34H,2,15-20H2,1H3,(H2,30,31,35)/t25-/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 affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070176
PNG
(4-(3-Hexyl-1,3-dimethyl-ureido)-N-(4-{2-[(S)-2-hyd...)
Show SMILES CCCCCCN(C)C(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-4-5-6-7-22-35(2)32(39)36(3)27-12-18-31(19-13-27)43(40,41)34-26-10-8-25(9-11-26)20-21-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33-34,37-38H,4-7,20-24H2,1-3H3/t29-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070176
PNG
(4-(3-Hexyl-1,3-dimethyl-ureido)-N-(4-{2-[(S)-2-hyd...)
Show SMILES CCCCCCN(C)C(=O)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-4-5-6-7-22-35(2)32(39)36(3)27-12-18-31(19-13-27)43(40,41)34-26-10-8-25(9-11-26)20-21-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33-34,37-38H,4-7,20-24H2,1-3H3/t29-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070171
PNG
(CHEMBL13467 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-2-3-4-5-6-7-21-34-32(39)35-26-12-18-31(19-13-26)43(40,41)36-27-10-8-25(9-11-27)20-22-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33,36-38H,2-7,20-24H2,1H3,(H2,34,35,39)/t29-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070180
PNG
(3-(3-Hexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(4-hyd...)
Show SMILES CCCCCCNC(=O)Nc1cccc(c1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-18-32-30(37)33-25-7-6-8-29(20-25)41(38,39)34-24-11-9-23(10-12-24)17-19-31-21-27(36)22-40-28-15-13-26(35)14-16-28/h6-16,20,27,31,34-36H,2-5,17-19,21-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 4.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity towards human Beta-3 adrenergic receptor


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/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 affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070179
PNG
(4-(3-Hexyl-3-methyl-ureido)-N-(4-{2-[(S)-2-hydroxy...)
Show SMILES CCCCCCN(C)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C31H42N4O6S/c1-3-4-5-6-21-35(2)31(38)33-25-11-17-30(18-12-25)42(39,40)34-26-9-7-24(8-10-26)19-20-32-22-28(37)23-41-29-15-13-27(36)14-16-29/h7-18,28,32,34,36-37H,3-6,19-23H2,1-2H3,(H,33,38)/t28-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070171
PNG
(CHEMBL13467 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C32H44N4O6S/c1-2-3-4-5-6-7-21-34-32(39)35-26-12-18-31(19-13-26)43(40,41)36-27-10-8-25(9-11-27)20-22-33-23-29(38)24-42-30-16-14-28(37)15-17-30/h8-19,29,33,36-38H,2-7,20-24H2,1H3,(H2,34,35,39)/t29-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro affinity at Beta-1 adrenergic receptor in the presence of [125I]-iodocyanopindolol.


Bioorg Med Chem Lett 8: 1107-12 (1999)


Article DOI: 10.1016/s0960-894x(98)00170-x
BindingDB Entry DOI: 10.7270/Q2QZ2942
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 0.430n/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta 2 adrenergic receptors


J Med Chem 44: 1456-66 (2001)


Article DOI: 10.1021/jm000544b
BindingDB Entry DOI: 10.7270/Q2T72J53
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 330n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro activity to increase cAMP levels in Chinese hamster ovary (CHO) cells expressing the cloned human beta 1 Adrenergic receptor


J Med Chem 44: 1456-66 (2001)


Article DOI: 10.1021/jm000544b
BindingDB Entry DOI: 10.7270/Q2T72J53
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Tryapanosom cruzi cruzain by Flexstation microplate spectrofluorometry


J Med Chem 53: 37-51 (2010)


Article DOI: 10.1021/jm901070c
BindingDB Entry DOI: 10.7270/Q2ZP466W
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Tryapanosom cruzi cruzain by quantitative high throughput screening


J Med Chem 53: 37-51 (2010)


Article DOI: 10.1021/jm901070c
BindingDB Entry DOI: 10.7270/Q2ZP466W
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50311092
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(2-hydroxy-3-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1/C32H44N4O6S/c1-4-5-6-7-20-33-31(39)35-25-12-18-30(19-13-25)43(40,41)36-26-10-8-24(9-11-26)21-32(2,3)34-22-28(38)23-42-29-16-14-27(37)15-17-29/h8-19,28,34,36-38H,4-7,20-23H2,1-3H3,(H2,33,35,39)/t28-/s2
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK0677 from human GHS-R1a


Bioorg Med Chem Lett 19: 6237-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.076
BindingDB Entry DOI: 10.7270/Q2V124X7
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50311092
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(2-hydroxy-3-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1/C32H44N4O6S/c1-4-5-6-7-20-33-31(39)35-25-12-18-30(19-13-25)43(40,41)36-26-10-8-24(9-11-26)21-32(2,3)34-22-28(38)23-42-29-16-14-27(37)15-17-29/h8-19,28,34,36-38H,4-7,20-23H2,1-3H3,(H2,33,35,39)/t28-/s2
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-stimulated intracellular calcium mobilization


Bioorg Med Chem Lett 19: 6237-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.076
BindingDB Entry DOI: 10.7270/Q2V124X7
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro increase in cAMP levels in Chinese hamster ovary cells expressing the human cloned beta 3 Adrenergic receptor.


J Med Chem 44: 1456-66 (2001)


Article DOI: 10.1021/jm000544b
BindingDB Entry DOI: 10.7270/Q2T72J53
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50071293
PNG
(4-(3-Hexyl-ureido)-N-(4-{2-[(S)-2-hydroxy-3-(pyrid...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1
Show InChI InChI=1S/C29H39N5O5S/c1-2-3-4-5-18-32-29(36)33-24-12-14-28(15-13-24)40(37,38)34-25-10-8-23(9-11-25)16-19-31-20-26(35)22-39-27-7-6-17-30-21-27/h6-15,17,21,26,31,34-35H,2-5,16,18-20,22H2,1H3,(H2,32,33,36)/t26-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for its agonist activity and the binding affinity against human Beta-2 adrenergic receptor in membranes from chinese hamster ovary cell


Bioorg Med Chem Lett 8: 2111-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00381-3
BindingDB Entry DOI: 10.7270/Q2H41QKB
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50070156
PNG
((S)-4-(3-hexylureido)-N-(4-(2-(1-hydroxy-2-(4-hydr...)
Show SMILES CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H40N4O6S/c1-2-3-4-5-19-32-30(37)33-24-10-16-29(17-11-24)41(38,39)34-25-8-6-23(7-9-25)18-20-31-21-27(36)22-40-28-14-12-26(35)13-15-28/h6-17,27,31,34-36H,2-5,18-22H2,1H3,(H2,32,33,37)/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
Beta-2 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol


Bioorg Med Chem Lett 8: 3087-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00571-x
BindingDB Entry DOI: 10.7270/Q25H7FF6
More data for this
Ligand-Target Pair