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Compile Data Set for Download or QSAR

Found 332 hits with Last Name = 'blisse' and Initial = 'm'   
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))
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))
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-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))
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))
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328300
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES COCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C28H32N4O4S/c1-35-15-20-13-23(7-8-25(20)34)36-16-22(33)14-29-21-9-11-32(12-10-21)27-26-24(19-5-3-2-4-6-19)17-37-28(26)31-18-30-27/h2-8,13,17-18,21-22,29,33-34H,9-12,14-16H2,1H3
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1n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
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-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328294
PNG
(1-phenoxy-3-(1-(5-(thiophen-2-yl)thieno[2,3-d]pyri...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3cccs3)c12)COc1ccccc1
Show InChI InChI=1S/C24H26N4O2S2/c29-18(14-30-19-5-2-1-3-6-19)13-25-17-8-10-28(11-9-17)23-22-20(21-7-4-12-31-21)15-32-24(22)27-16-26-23/h1-7,12,15-18,25,29H,8-11,13-14H2
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4n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328300
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES COCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C28H32N4O4S/c1-35-15-20-13-23(7-8-25(20)34)36-16-22(33)14-29-21-9-11-32(12-10-21)27-26-24(19-5-3-2-4-6-19)17-37-28(26)31-18-30-27/h2-8,13,17-18,21-22,29,33-34H,9-12,14-16H2,1H3
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4.90n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328311
PNG
(1-(2-allylphenoxy)-3-(1-(5-phenylthieno[2,3-d]pyri...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1CC=C
Show InChI InChI=1S/C29H32N4O2S/c1-2-8-22-11-6-7-12-26(22)35-18-24(34)17-30-23-13-15-33(16-14-23)28-27-25(21-9-4-3-5-10-21)19-36-29(27)32-20-31-28/h2-7,9-12,19-20,23-24,30,34H,1,8,13-18H2
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6n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328336
PNG
(3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(O)c1
Show InChI InChI=1S/C26H28N4O3S/c31-20-7-4-8-22(13-20)33-15-21(32)14-27-19-9-11-30(12-10-19)25-24-23(18-5-2-1-3-6-18)16-34-26(24)29-17-28-25/h1-8,13,16-17,19,21,27,31-32H,9-12,14-15H2
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6n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
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))
BDBM50328299
PNG
(3-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...)
Show SMILES CCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-22(33)8-9-25(19)35-16-23(34)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21,23,29,33-34H,2,10-13,15-16H2,1H3
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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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328301
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C27H30N4O4S/c32-14-19-12-22(6-7-24(19)34)35-15-21(33)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20-21,28,32-34H,8-11,13-15H2
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7.30n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328336
PNG
(3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(O)c1
Show InChI InChI=1S/C26H28N4O3S/c31-20-7-4-8-22(13-20)33-15-21(32)14-27-19-9-11-30(12-10-19)25-24-23(18-5-2-1-3-6-18)16-34-26(24)29-17-28-25/h1-8,13,16-17,19,21,27,31-32H,9-12,14-15H2
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8.5n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328298
PNG
(2-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...)
Show SMILES CCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-23(8-9-25(19)34)35-16-22(33)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21-22,29,33-34H,2,10-13,15-16H2,1H3
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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 beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328337
PNG
(1-phenoxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-y...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1
Show InChI InChI=1S/C26H28N4O2S/c31-21(16-32-22-9-5-2-6-10-22)15-27-20-11-13-30(14-12-20)25-24-23(19-7-3-1-4-8-19)17-33-26(24)29-18-28-25/h1-10,17-18,20-21,27,31H,11-16H2
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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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328310
PNG
(1-(2-isopropylphenoxy)-3-(1-(5-phenylthieno[2,3-d]...)
Show SMILES CC(C)c1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
Show InChI InChI=1S/C29H34N4O2S/c1-20(2)24-10-6-7-11-26(24)35-17-23(34)16-30-22-12-14-33(15-13-22)28-27-25(21-8-4-3-5-9-21)18-36-29(27)32-19-31-28/h3-11,18-20,22-23,30,34H,12-17H2,1-2H3
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10n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328326
PNG
(1-(3-ethylphenoxy)-3-(1-(5-phenylthieno[2,3-d]pyri...)
Show SMILES CCc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C28H32N4O2S/c1-2-20-7-6-10-24(15-20)34-17-23(33)16-29-22-11-13-32(14-12-22)27-26-25(21-8-4-3-5-9-21)18-35-28(26)31-19-30-27/h3-10,15,18-19,22-23,29,33H,2,11-14,16-17H2,1H3
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10n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328294
PNG
(1-phenoxy-3-(1-(5-(thiophen-2-yl)thieno[2,3-d]pyri...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3cccs3)c12)COc1ccccc1
Show InChI InChI=1S/C24H26N4O2S2/c29-18(14-30-19-5-2-1-3-6-19)13-25-17-8-10-28(11-9-17)23-22-20(21-7-4-12-31-21)15-32-24(22)27-16-26-23/h1-7,12,15-18,25,29H,8-11,13-14H2
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11n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328334
PNG
(1-(2-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...)
Show SMILES COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
Show InChI InChI=1S/C27H30N4O3S/c1-33-23-9-5-6-10-24(23)34-16-21(32)15-28-20-11-13-31(14-12-20)26-25-22(19-7-3-2-4-8-19)17-35-27(25)30-18-29-26/h2-10,17-18,20-21,28,32H,11-16H2,1H3
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11n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328298
PNG
(2-ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]py...)
Show SMILES CCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C28H32N4O3S/c1-2-19-14-23(8-9-25(19)34)35-16-22(33)15-29-21-10-12-32(13-11-21)27-26-24(20-6-4-3-5-7-20)17-36-28(26)31-18-30-27/h3-9,14,17-18,21-22,29,33-34H,2,10-13,15-16H2,1H3
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11n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328334
PNG
(1-(2-methoxyphenoxy)-3-(1-(5-phenylthieno[2,3-d]py...)
Show SMILES COc1ccccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
Show InChI InChI=1S/C27H30N4O3S/c1-33-23-9-5-6-10-24(23)34-16-21(32)15-28-20-11-13-31(14-12-20)26-25-22(19-7-3-2-4-8-19)17-35-27(25)30-18-29-26/h2-10,17-18,20-21,28,32H,11-16H2,1H3
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11n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
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-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328282
PNG
(1-phenoxy-3-(1-(thieno[3,2-d]pyrimidin-4-yl)piperi...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2ccsc12)COc1ccccc1
Show InChI InChI=1S/C20H24N4O2S/c25-16(13-26-17-4-2-1-3-5-17)12-21-15-6-9-24(10-7-15)20-19-18(8-11-27-19)22-14-23-20/h1-5,8,11,14-16,21,25H,6-7,9-10,12-13H2
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14n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328331
PNG
(1-(2-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1F
Show InChI InChI=1S/C26H27FN4O2S/c27-22-8-4-5-9-23(22)33-15-20(32)14-28-19-10-12-31(13-11-19)25-24-21(18-6-2-1-3-7-18)16-34-26(24)30-17-29-25/h1-9,16-17,19-20,28,32H,10-15H2
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14n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328301
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Show InChI InChI=1S/C27H30N4O4S/c32-14-19-12-22(6-7-24(19)34)35-15-21(33)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20-21,28,32-34H,8-11,13-15H2
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14n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328330
PNG
(1-(3-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(F)c1
Show InChI InChI=1S/C26H27FN4O2S/c27-19-7-4-8-22(13-19)33-15-21(32)14-28-20-9-11-31(12-10-20)25-24-23(18-5-2-1-3-6-18)16-34-26(24)30-17-29-25/h1-8,13,16-17,20-21,28,32H,9-12,14-15H2
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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 beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328337
PNG
(1-phenoxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-y...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1
Show InChI InChI=1S/C26H28N4O2S/c31-21(16-32-22-9-5-2-6-10-22)15-27-20-11-13-30(14-12-20)25-24-23(19-7-3-1-4-8-19)17-33-26(24)29-18-28-25/h1-10,17-18,20-21,27,31H,11-16H2
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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 beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
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-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328328
PNG
(1-(3-(hydroxymethyl)phenoxy)-3-(1-(5-phenylthieno[...)
Show SMILES OCc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
Show InChI InChI=1S/C27H30N4O3S/c32-15-19-5-4-8-23(13-19)34-16-22(33)14-28-21-9-11-31(12-10-21)26-25-24(20-6-2-1-3-7-20)17-35-27(25)30-18-29-26/h1-8,13,17-18,21-22,28,32-33H,9-12,14-16H2
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18n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328296
PNG
(1-(1-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-y...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12)COc1ccccc1
Show InChI InChI=1S/C26H27FN4O2S/c27-19-8-6-18(7-9-19)23-16-34-26-24(23)25(29-17-30-26)31-12-10-20(11-13-31)28-14-21(32)15-33-22-4-2-1-3-5-22/h1-9,16-17,20-21,28,32H,10-15H2
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19n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328292
PNG
(4-(2-hydroxy-3-(1-(5-(thiophen-2-yl)thieno[2,3-d]p...)
Show SMILES OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4cccs4)c23)ccc1O
Show InChI InChI=1S/C25H28N4O4S2/c30-12-16-10-19(3-4-21(16)32)33-13-18(31)11-26-17-5-7-29(8-6-17)24-23-20(22-2-1-9-34-22)14-35-25(23)28-15-27-24/h1-4,9-10,14-15,17-18,26,30-32H,5-8,11-13H2
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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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328296
PNG
(1-(1-(5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-y...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccc(F)cc3)c12)COc1ccccc1
Show InChI InChI=1S/C26H27FN4O2S/c27-19-8-6-18(7-9-19)23-16-34-26-24(23)25(29-17-30-26)31-12-10-20(11-13-31)28-14-21(32)15-33-22-4-2-1-3-5-22/h1-9,16-17,20-21,28,32H,10-15H2
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23n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328331
PNG
(1-(2-fluorophenoxy)-3-(1-(5-phenylthieno[2,3-d]pyr...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1F
Show InChI InChI=1S/C26H27FN4O2S/c27-22-8-4-5-9-23(22)33-15-20(32)14-28-19-10-12-31(13-11-19)25-24-21(18-6-2-1-3-7-18)16-34-26(24)30-17-29-25/h1-9,16-17,19-20,28,32H,10-15H2
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25n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50328302
PNG
(4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OCc1cc(O)ccc1OCC(O)CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12
Show InChI InChI=1S/C27H30N4O4S/c32-14-19-12-21(33)6-7-24(19)35-15-22(34)13-28-20-8-10-31(11-9-20)26-25-23(18-4-2-1-3-5-18)16-36-27(25)30-17-29-26/h1-7,12,16-17,20,22,28,32-34H,8-11,13-15H2
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25n/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 CHO cells


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
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