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Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with all data for entry = 50031780   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318987
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)p...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1
Show InChI InChI=1S/C26H29N3O2/c30-21(17-29-13-10-19(11-14-29)15-20-5-4-12-27-16-20)18-31-25-9-3-8-24-26(25)22-6-1-2-7-23(22)28-24/h1-9,12,16,19,21,28,30H,10-11,13-15,17-18H2
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0.100n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318983
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4cccc5[nH]c6ccccc6c45)CC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C34H33N3O5/c1-41-24-16-22-6-4-8-26-31(22)27(17-24)34(40)37(33(26)39)18-21-12-14-36(15-13-21)19-23(38)20-42-30-11-5-10-29-32(30)25-7-2-3-9-28(25)35-29/h2-11,16-17,21,23,35,38H,12-15,18-20H2,1H3
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0.100n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318989
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C28H30N2O4/c1-33-22-11-9-19(10-12-22)28(32)20-13-15-30(16-14-20)17-21(31)18-34-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,20-21,29,31H,13-18H2,1H3
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0.200n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318986
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
Show InChI InChI=1S/C28H32N2O3/c1-32-23-11-9-20(10-12-23)17-21-13-15-30(16-14-21)18-22(31)19-33-27-8-4-7-26-28(27)24-5-2-3-6-25(24)29-26/h2-12,21-22,29,31H,13-19H2,1H3
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0.200n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318988
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2
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0.200n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318990
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
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0.300n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318985
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-benzylpiperidin-1-yl)...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O2/c30-22(18-29-15-13-21(14-16-29)17-20-7-2-1-3-8-20)19-31-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28-25/h1-12,21-22,28,30H,13-19H2
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0.5n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318987
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)p...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1
Show InChI InChI=1S/C26H29N3O2/c30-21(17-29-13-10-19(11-14-29)15-20-5-4-12-27-16-20)18-31-25-9-3-8-24-26(25)22-6-1-2-7-23(22)28-24/h1-9,12,16,19,21,28,30H,10-11,13-15,17-18H2
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1n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318979
PNG
(1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol | C...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCOCC1
Show InChI InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318980
PNG
(1-(2-allylphenoxy)-3-(1-methylpiperidin-4-ylamino)...)
Show SMILES CN1CCC(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C18H28N2O2/c1-3-6-15-7-4-5-8-18(15)22-14-17(21)13-19-16-9-11-20(2)12-10-16/h3-5,7-8,16-17,19,21H,1,6,9-14H2,2H3
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2.40n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318999
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C33H31N3O4/c37-23(20-40-29-13-5-12-28-31(29)24-8-1-2-11-27(24)34-28)19-35-16-14-21(15-17-35)18-36-32(38)25-9-3-6-22-7-4-10-26(30(22)25)33(36)39/h1-13,21,23,34,37H,14-20H2
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3n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318986
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
Show InChI InChI=1S/C28H32N2O3/c1-32-23-11-9-20(10-12-23)17-21-13-15-30(16-14-21)18-22(31)19-33-27-8-4-7-26-28(27)24-5-2-3-6-25(24)29-26/h2-12,21-22,29,31H,13-19H2,1H3
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3.40n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318999
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C33H31N3O4/c37-23(20-40-29-13-5-12-28-31(29)24-8-1-2-11-27(24)34-28)19-35-16-14-21(15-17-35)18-36-32(38)25-9-3-6-22-7-4-10-26(30(22)25)33(36)39/h1-13,21,23,34,37H,14-20H2
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7n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318978
PNG
(1-(2-allylphenoxy)-3-morpholinopropan-2-ol | CHEMB...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCOCC1
Show InChI InChI=1S/C16H23NO3/c1-2-5-14-6-3-4-7-16(14)20-13-15(18)12-17-8-10-19-11-9-17/h2-4,6-7,15,18H,1,5,8-13H2
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7n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318983
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4cccc5[nH]c6ccccc6c45)CC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C34H33N3O5/c1-41-24-16-22-6-4-8-26-31(22)27(17-24)34(40)37(33(26)39)18-21-12-14-36(15-13-21)19-23(38)20-42-30-11-5-10-29-32(30)25-7-2-3-9-28(25)35-29/h2-11,16-17,21,23,35,38H,12-15,18-20H2,1H3
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8n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318977
PNG
(1-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pipe...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1
Show InChI InChI=1S/C23H34N2O4/c1-17(2)20-6-3-4-7-21(20)29-16-19(26)15-24-12-10-18(11-13-24)14-25-22(27)8-5-9-23(25)28/h3-4,6-7,17-19,26H,5,8-16H2,1-2H3
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9n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318979
PNG
(1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol | C...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCOCC1
Show InChI InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
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12n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318989
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C28H30N2O4/c1-33-22-11-9-19(10-12-22)28(32)20-13-15-30(16-14-20)17-21(31)18-34-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,20-21,29,31H,13-18H2,1H3
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13n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50319004
PNG
(2-(1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)piper...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C29H32N2O4/c1-19(2)23-9-3-4-12-26(23)35-18-22(32)17-30-15-13-21(14-16-30)31-28(33)24-10-5-7-20-8-6-11-25(27(20)24)29(31)34/h3-12,19,21-22,32H,13-18H2,1-2H3
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13n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318985
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-benzylpiperidin-1-yl)...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O2/c30-22(18-29-15-13-21(14-16-29)17-20-7-2-1-3-8-20)19-31-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28-25/h1-12,21-22,28,30H,13-19H2
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14n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318988
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2
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16n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318975
PNG
(2-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pipe...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C26H32N2O4/c1-18(2)21-7-5-6-10-24(21)32-17-20(29)16-27-13-11-19(12-14-27)15-28-25(30)22-8-3-4-9-23(22)26(28)31/h3-10,18-20,29H,11-17H2,1-2H3
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17n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318981
PNG
(1-(2-isopropylphenoxy)-3-(1-methylpiperidin-4-ylam...)
Show SMILES CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1
Show InChI InChI=1S/C18H30N2O2/c1-14(2)17-6-4-5-7-18(17)22-13-16(21)12-19-15-8-10-20(3)11-9-15/h4-7,14-16,19,21H,8-13H2,1-3H3
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17n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318998
PNG
(2-((1-(3-(1H-indol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]ccc12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C29H29N3O4/c33-21(18-36-26-9-3-8-25-22(26)10-13-30-25)17-31-14-11-19(12-15-31)16-32-28(34)23-6-1-4-20-5-2-7-24(27(20)23)29(32)35/h1-10,13,19,21,30,33H,11-12,14-18H2
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27n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318990
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
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32n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta-1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318982
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1
Show InChI InChI=1S/C33H31N3O5/c37-22-15-21-5-3-7-25-30(21)26(16-22)33(40)36(32(25)39)17-20-11-13-35(14-12-20)18-23(38)19-41-29-10-4-9-28-31(29)24-6-1-2-8-27(24)34-28/h1-10,15-16,20,23,34,37-38H,11-14,17-19H2
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37n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318973
PNG
(2-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pipe...)
Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4ccccc4C(C)C)CC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C31H36N2O5/c1-20(2)25-8-4-5-10-28(25)38-19-23(34)18-32-13-11-21(12-14-32)17-33-30(35)26-9-6-7-22-15-24(37-3)16-27(29(22)26)31(33)36/h4-10,15-16,20-21,23,34H,11-14,17-19H2,1-3H3
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38n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50319003
PNG
(2-(1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidin...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C29H30N2O4/c1-2-7-20-8-3-4-13-26(20)35-19-23(32)18-30-16-14-22(15-17-30)31-28(33)24-11-5-9-21-10-6-12-25(27(21)24)29(31)34/h2-6,8-13,22-23,32H,1,7,14-19H2
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40n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318974
PNG
(2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C26H30N2O4/c1-2-7-20-8-3-6-11-24(20)32-18-21(29)17-27-14-12-19(13-15-27)16-28-25(30)22-9-4-5-10-23(22)26(28)31/h2-6,8-11,19,21,29H,1,7,12-18H2
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50n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318984
PNG
(2-(1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pipe...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C32H29N3O4/c36-22(19-39-28-13-5-12-27-30(28)23-8-1-2-11-26(23)33-27)18-34-16-14-21(15-17-34)35-31(37)24-9-3-6-20-7-4-10-25(29(20)24)32(35)38/h1-13,21-22,33,36H,14-19H2
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57n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50319002
PNG
(2-(2-(4-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pi...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C30H35N3O4/c1-21(2)24-9-3-4-12-27(24)37-20-23(34)19-32-15-13-31(14-16-32)17-18-33-29(35)25-10-5-7-22-8-6-11-26(28(22)25)30(33)36/h3-12,21,23,34H,13-20H2,1-2H3
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70n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318987
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)p...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1
Show InChI InChI=1S/C26H29N3O2/c30-21(17-29-13-10-19(11-14-29)15-20-5-4-12-27-16-20)18-31-25-9-3-8-24-26(25)22-6-1-2-7-23(22)28-24/h1-9,12,16,19,21,28,30H,10-11,13-15,17-18H2
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72n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318984
PNG
(2-(1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pipe...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C32H29N3O4/c36-22(19-39-28-13-5-12-27-30(28)23-8-1-2-11-26(23)33-27)18-34-16-14-21(15-17-34)35-31(37)24-9-3-6-20-7-4-10-25(29(20)24)32(35)38/h1-13,21-22,33,36H,14-19H2
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76n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318972
PNG
(2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4ccccc4CC=C)CC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C31H34N2O5/c1-3-7-22-8-4-5-11-28(22)38-20-24(34)19-32-14-12-21(13-15-32)18-33-30(35)26-10-6-9-23-16-25(37-2)17-27(29(23)26)31(33)36/h3-6,8-11,16-17,21,24,34H,1,7,12-15,18-20H2,2H3
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78n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318992
PNG
(2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C30H32N2O4/c1-2-7-22-8-3-4-13-27(22)36-20-24(33)19-31-16-14-21(15-17-31)18-32-29(34)25-11-5-9-23-10-6-12-26(28(23)25)30(32)35/h2-6,8-13,21,24,33H,1,7,14-20H2
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80n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318991
PNG
(2-((1-(2-hydroxy-3-(2-isopropyl-5-methylphenoxy)pr...)
Show SMILES CC(C)c1ccc(C)cc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C31H36N2O4/c1-20(2)25-11-10-21(3)16-28(25)37-19-24(34)18-32-14-12-22(13-15-32)17-33-30(35)26-8-4-6-23-7-5-9-27(29(23)26)31(33)36/h4-11,16,20,22,24,34H,12-15,17-19H2,1-3H3
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80n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318976
PNG
(1-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)CCCC2=O)CC1
Show InChI InChI=1S/C23H32N2O4/c1-2-6-19-7-3-4-8-21(19)29-17-20(26)16-24-13-11-18(12-14-24)15-25-22(27)9-5-10-23(25)28/h2-4,7-8,18,20,26H,1,5-6,9-17H2
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80n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318992
PNG
(2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C30H32N2O4/c1-2-7-22-8-3-4-13-27(22)36-20-24(33)19-31-16-14-21(15-17-31)18-32-29(34)25-11-5-9-23-10-6-12-26(28(23)25)30(32)35/h2-6,8-13,21,24,33H,1,7,14-20H2
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80n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318981
PNG
(1-(2-isopropylphenoxy)-3-(1-methylpiperidin-4-ylam...)
Show SMILES CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1
Show InChI InChI=1S/C18H30N2O2/c1-14(2)17-6-4-5-7-18(17)22-13-16(21)12-19-15-8-10-20(3)11-9-15/h4-7,14-16,19,21H,8-13H2,1-3H3
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89n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318984
PNG
(2-(1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pipe...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C32H29N3O4/c36-22(19-39-28-13-5-12-27-30(28)23-8-1-2-11-26(23)33-27)18-34-16-14-21(15-17-34)35-31(37)24-9-3-6-20-7-4-10-25(29(20)24)32(35)38/h1-13,21-22,33,36H,14-19H2
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98n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50319000
PNG
(2-(2-(4-(2-hydroxy-3-(2-isopropyl-5-methylphenoxy)...)
Show SMILES CC(C)c1ccc(C)cc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C31H37N3O4/c1-21(2)25-11-10-22(3)18-28(25)38-20-24(35)19-33-14-12-32(13-15-33)16-17-34-30(36)26-8-4-6-23-7-5-9-27(29(23)26)31(34)37/h4-11,18,21,24,35H,12-17,19-20H2,1-3H3
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110n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318978
PNG
(1-(2-allylphenoxy)-3-morpholinopropan-2-ol | CHEMB...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCOCC1
Show InChI InChI=1S/C16H23NO3/c1-2-5-14-6-3-4-7-16(14)20-13-15(18)12-17-8-10-19-11-9-17/h2-4,6-7,15,18H,1,5,8-13H2
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114n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318998
PNG
(2-((1-(3-(1H-indol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]ccc12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C29H29N3O4/c33-21(18-36-26-9-3-8-25-22(26)10-13-30-25)17-31-14-11-19(12-15-31)16-32-28(34)23-6-1-4-20-5-2-7-24(27(20)23)29(32)35/h1-10,13,19,21,30,33H,11-12,14-18H2
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120n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318971
PNG
(2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1
Show InChI InChI=1S/C30H32N2O5/c1-2-6-21-7-3-4-10-27(21)37-19-24(34)18-31-13-11-20(12-14-31)17-32-29(35)25-9-5-8-22-15-23(33)16-26(28(22)25)30(32)36/h2-5,7-10,15-16,20,24,33-34H,1,6,11-14,17-19H2
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135n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM78700
PNG
(2-(2-{4-[3-(2-allylphenoxy)-2-hydroxypropyl]-1-pip...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C30H33N3O4/c1-2-7-22-8-3-4-13-27(22)37-21-24(34)20-32-16-14-31(15-17-32)18-19-33-29(35)25-11-5-9-23-10-6-12-26(28(23)25)30(33)36/h2-6,8-13,24,34H,1,7,14-21H2
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150n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318971
PNG
(2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1
Show InChI InChI=1S/C30H32N2O5/c1-2-6-21-7-3-4-10-27(21)37-19-24(34)18-31-13-11-20(12-14-31)17-32-29(35)25-9-5-8-22-15-23(33)16-26(28(22)25)30(32)36/h2-5,7-10,15-16,20,24,33-34H,1,6,11-14,17-19H2
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170n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318974
PNG
(2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C26H30N2O4/c1-2-7-20-8-3-6-11-24(20)32-18-21(29)17-27-14-12-19(13-15-27)16-28-25(30)22-9-4-5-10-23(22)26(28)31/h2-6,8-11,19,21,29H,1,7,12-18H2
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190n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318973
PNG
(2-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pipe...)
Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4ccccc4C(C)C)CC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C31H36N2O5/c1-20(2)25-8-4-5-10-28(25)38-19-23(34)18-32-13-11-21(12-14-32)17-33-30(35)26-9-6-7-22-15-24(37-3)16-27(29(22)26)31(33)36/h4-10,15-16,20-21,23,34H,11-14,17-19H2,1-3H3
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209n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318999
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C33H31N3O4/c37-23(20-40-29-13-5-12-28-31(29)24-8-1-2-11-27(24)34-28)19-35-16-14-21(15-17-35)18-36-32(38)25-9-3-6-22-7-4-10-26(30(22)25)33(36)39/h1-13,21,23,34,37H,14-20H2
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225n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318988
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2
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230n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
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