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Compile Data Set for Download or QSAR

Found 2505 hits Enz. Inhib. hit(s) with Target = 'ADRB2'   
Target
(Institution)
LigandTarget
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
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50268077
PNG
((S)-4-(2-hydroxy-3-(1-(4-methoxyphenyl)-2-methylpr...)
Show SMILES COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C21H27N3O4/c1-21(2,11-14-7-9-16(27-3)10-8-14)22-12-15(25)13-28-18-6-4-5-17-19(18)24-20(26)23-17/h4-10,15,22,25H,11-13H2,1-3H3,(H2,23,24,26)/t15-/m0/s1
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n/an/a 0.00130n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of beta2 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50407517
PNG
(CHEMBL1160723 | ISOPROTERENOL | US9492405, 27)
Show SMILES CC(C)NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1
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US Patent
n/an/a 0.0500n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50213098
PNG
((R,R)-(-)-fenoterol | CHEMBL388570 | US9492405, (R...)
Show SMILES C[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m1/s1
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US Patent
n/an/a 0.140n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50213099
PNG
((R,R)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18+/m1/s1
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US Patent
n/an/a 0.170n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419678
PNG
(CHEMBL1945036)
Show SMILES CC(CNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1
Show InChI InChI=1S/C27H31N3O3S/c1-18(21-5-3-2-4-6-21)15-29-16-20-9-7-19(8-10-20)13-14-28-17-24(32)22-11-12-23(31)25-26(22)34-27(33)30-25/h2-12,18,24,28-29,31-32H,13-17H2,1H3,(H,30,33)/t18?,24-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419668
PNG
(CHEMBL1947157)
Show SMILES O[C@@H](CNCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-5-2-6-21(28)18(20)10-12-29-14-17-4-1-3-16(13-17)9-11-30-15-23(33)19-7-8-22(32)24-25(19)35-26(34)31-24/h1-8,13,23,29-30,32-33H,9-12,14-15H2,(H,31,34)/t23-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM221910
PNG
(US9315463, 26)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1/C38H43ClN4O10S2/c1-43(23-7-9-24(10-8-23)53-36(47)38(49,31-5-3-15-54-31)32-6-4-16-55-32)13-14-51-37(48)41-27-18-30(50-2)22(17-26(27)39)19-40-20-29(45)25-11-12-28(44)34-35(25)52-21-33(46)42-34/h3-6,11-12,15-18,23-24,29,40,44-45,49H,7-10,13-14,19-21H2,1-2H3,(H,41,48)(H,42,46)/t23-,24-,29-/s2
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US Patent
n/an/a 0.380n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9315463 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419670
PNG
(CHEMBL1944691)
Show SMILES O[C@@H](CNCCc1cccc(CNCCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H28FN3O3S/c27-21-7-2-1-6-19(21)11-13-28-15-18-5-3-4-17(14-18)10-12-29-16-23(32)20-8-9-22(31)24-25(20)34-26(33)30-24/h1-9,14,23,28-29,31-32H,10-13,15-16H2,(H,30,33)/t23-/m0/s1
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n/an/a 0.501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419702
PNG
(CHEMBL1945038)
Show SMILES O[C@@H](CNCCc1cccc(CNCCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H30N4O3S/c31-22-10-9-21(25-24(22)30-26(33)34-25)23(32)17-28-14-11-18-5-3-6-19(15-18)16-27-12-4-8-20-7-1-2-13-29-20/h1-3,5-7,9-10,13,15,23,27-28,31-32H,4,8,11-12,14,16-17H2,(H,30,33)/t23-/m0/s1
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n/an/a 0.501n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419674
PNG
(CHEMBL1945031)
Show SMILES Cc1cccc2c(CCNCc3cccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)c[nH]c12
Show InChI InChI=1S/C29H32N4O3S/c1-18-4-2-7-22-21(16-32-26(18)22)11-13-30-15-20-6-3-5-19(14-20)10-12-31-17-25(35)23-8-9-24(34)27-28(23)37-29(36)33-27/h2-9,14,16,25,30-32,34-35H,10-13,15,17H2,1H3,(H,33,36)/t25-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419710
PNG
(CHEMBL1946768)
Show SMILES Oc1ccc(CCNCCc2cccc(CNCCc3c(Cl)cccc3Cl)c2)c2sc(=O)[nH]c12
Show InChI InChI=1S/C26H27Cl2N3O2S/c27-21-5-2-6-22(28)20(21)11-14-30-16-18-4-1-3-17(15-18)9-12-29-13-10-19-7-8-23(32)24-25(19)34-26(33)31-24/h1-8,15,29-30,32H,9-14,16H2,(H,31,33)
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419669
PNG
(CHEMBL1944690)
Show SMILES O[C@@H](CNCCc1cccc(CNCCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H28ClN3O3S/c27-21-7-2-1-6-19(21)11-13-28-15-18-5-3-4-17(14-18)10-12-29-16-23(32)20-8-9-22(31)24-25(20)34-26(33)30-24/h1-9,14,23,28-29,31-32H,10-13,15-16H2,(H,30,33)/t23-/m0/s1
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n/an/a 0.631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419687
PNG
(CHEMBL1947151)
Show SMILES C[C@@H](NCc1ccccc1-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1
Show InChI InChI=1S/C32H33N3O2S/c1-22(24-7-3-2-4-8-24)34-21-27-9-5-6-10-28(27)25-13-11-23(12-14-25)17-19-33-20-18-26-15-16-29(36)30-31(26)38-32(37)35-30/h2-16,22,33-34,36H,17-21H2,1H3,(H,35,37)/t22-/m1/s1
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419679
PNG
(CHEMBL1945037)
Show SMILES O[C@@H](CNCCc1cccc(CNCCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C27H31N3O3S/c31-23-12-11-22(26-25(23)30-27(33)34-26)24(32)18-29-15-13-20-8-4-9-21(16-20)17-28-14-5-10-19-6-2-1-3-7-19/h1-4,6-9,11-12,16,24,28-29,31-32H,5,10,13-15,17-18H2,(H,30,33)/t24-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419671
PNG
(CHEMBL1944693)
Show SMILES COc1ccccc1CCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1
Show InChI InChI=1S/C27H31N3O4S/c1-34-24-8-3-2-7-20(24)12-14-28-16-19-6-4-5-18(15-19)11-13-29-17-23(32)21-9-10-22(31)25-26(21)35-27(33)30-25/h2-10,15,23,28-29,31-32H,11-14,16-17H2,1H3,(H,30,33)/t23-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419703
PNG
(CHEMBL1945042)
Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C25H26FN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50268076
PNG
((2S)-1-[(2,3-Dichlorophenyl)oxy]-3-((1,1-dimethyl-...)
Show SMILES COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C20H25Cl2NO3/c1-20(2,11-14-7-9-16(25-3)10-8-14)23-12-15(24)13-26-18-6-4-5-17(21)19(18)22/h4-10,15,23-24H,11-13H2,1-3H3/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM221912
PNG
(US9315463, 29)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1/C40H49ClN4O9S/c1-45(26-9-11-27(12-10-26)54-38(49)40(51,25-6-3-4-7-25)35-8-5-19-55-35)17-18-53-39(50)43-31-21-34(52-2)24(20-30(31)41)22-42-23-33(47)28-13-15-32(46)37-29(28)14-16-36(48)44-37/h5,8,13-16,19-21,25-27,33,42,46-47,51H,3-4,6-7,9-12,17-18,22-23H2,1-2H3,(H,43,50)(H,44,48)/t26-,27-,33-,40+/s2
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US Patent
n/an/a 1.10n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9315463 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50213110
PNG
((R,S)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m0/s1
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US Patent
n/an/a 1.19n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50268077
PNG
((S)-4-(2-hydroxy-3-(1-(4-methoxyphenyl)-2-methylpr...)
Show SMILES COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1
Show InChI InChI=1S/C21H27N3O4/c1-21(2,11-14-7-9-16(27-3)10-8-14)22-12-15(25)13-28-18-6-4-5-17-19(18)24-20(26)23-17/h4-10,15,22,25H,11-13H2,1-3H3,(H2,23,24,26)/t15-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM221911
PNG
(US9315463, 28)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1/C42H51ClN4O9/c1-47(29-12-14-30(15-13-29)56-40(51)42(53,28-10-6-7-11-28)27-8-4-3-5-9-27)20-21-55-41(52)45-34-23-37(54-2)26(22-33(34)43)24-44-25-36(49)31-16-18-35(48)39-32(31)17-19-38(50)46-39/h3-5,8-9,16-19,22-23,28-30,36,44,48-49,53H,6-7,10-15,20-21,24-25H2,1-2H3,(H,45,52)(H,46,50)/t29-,30-,36-,42-/s2
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n/an/a 1.30n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9315463 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM200753
PNG
(US9233108, 18)
Show SMILES CN(CCCn1nnc2cc(CNC[C@H](O)c3ccc(O)c4NC(=O)COc34)ccc12)[C@H]1CC[C@@H](CC1)OC(=O)[C@@](O)(C1CCCC1)c1cccs1
Show InChI InChI=1S/C38H48N6O7S/c1-43(26-10-12-27(13-11-26)51-37(48)38(49,25-6-2-3-7-25)33-8-4-19-52-33)17-5-18-44-30-15-9-24(20-29(30)41-42-44)21-39-22-32(46)28-14-16-31(45)35-36(28)50-23-34(47)40-35/h4,8-9,14-16,19-20,25-27,32,39,45-46,49H,2-3,5-7,10-13,17-18,21-23H2,1H3,(H,40,47)/t26-,27-,32-,38+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



ALMIRALL, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9233108 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50348426
PNG
(CHEMBL1800936 | US9492405, 48)
Show SMILES CC[C@H](Cc1ccc(O)cc1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C18H23NO4/c1-2-14(7-12-3-5-15(20)6-4-12)19-11-18(23)13-8-16(21)10-17(22)9-13/h3-6,8-10,14,18-23H,2,7,11H2,1H3/t14-,18+/m1/s1
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US Patent
n/an/a 1.44n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM200750
PNG
(US9233108, 15)
Show SMILES CN(CCCn1c2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2oc1=O)[C@H]1CC[C@@H](CC1)OC(=O)C1(C)c2ccccc2Oc2ccccc12
Show InChI InChI=1S/C44H46N4O8/c1-44(32-8-3-5-10-37(32)55-38-11-6-4-9-33(38)44)42(52)54-29-15-13-28(14-16-29)47(2)22-7-23-48-34-19-12-27(24-39(34)56-43(48)53)25-45-26-36(50)30-17-20-35(49)41-31(30)18-21-40(51)46-41/h3-6,8-12,17-21,24,28-29,36,45,49-50H,7,13-16,22-23,25-26H2,1-2H3,(H,46,51)/t28-,29-,36-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



ALMIRALL, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9233108 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50213115
PNG
((R,R)-(-)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...)
Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21+/m1/s1
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US Patent
n/an/a 1.57n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419665
PNG
(CHEMBL1945299)
Show SMILES COc1ccccc1CNCCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1
Show InChI InChI=1S/C27H31N3O4S/c1-34-24-8-3-2-7-20(24)16-28-13-11-18-5-4-6-19(15-18)12-14-29-17-23(32)21-9-10-22(31)25-26(21)35-27(33)30-25/h2-10,15,23,28-29,31-32H,11-14,16-17H2,1H3,(H,30,33)/t23-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM221902
PNG
(US9315463, 12)
Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1/C39H43ClN4O9S2/c1-44(24-7-9-25(10-8-24)53-37(48)39(50,33-5-3-17-54-33)34-6-4-18-55-34)15-16-52-38(49)42-29-20-32(51-2)23(19-28(29)40)21-41-22-31(46)26-11-13-30(45)36-27(26)12-14-35(47)43-36/h3-6,11-14,17-20,24-25,31,41,45-46,50H,7-10,15-16,21-22H2,1-2H3,(H,42,49)(H,43,47)/t24-,25-,31-/s2
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n/an/a 1.60n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9315463 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50348428
PNG
(CHEMBL1800961 | US9492405, 40)
Show SMILES C[C@H](Cc1ccc2ccccc2c1)NC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C21H23NO3/c1-14(8-15-6-7-16-4-2-3-5-17(16)9-15)22-13-21(25)18-10-19(23)12-20(24)11-18/h2-7,9-12,14,21-25H,8,13H2,1H3/t14-,21+/m1/s1
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US Patent
n/an/a 1.91n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419675
PNG
(CHEMBL1945032)
Show SMILES Cc1cccc2c(CCNCc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)cc3)c[nH]c12
Show InChI InChI=1S/C29H32N4O3S/c1-18-3-2-4-22-21(16-32-26(18)22)12-14-30-15-20-7-5-19(6-8-20)11-13-31-17-25(35)23-9-10-24(34)27-28(23)37-29(36)33-27/h2-10,16,25,30-32,34-35H,11-15,17H2,1H3,(H,33,36)/t25-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419701
PNG
(CHEMBL1944692)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2F)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H28FN3O3S/c27-21-4-2-1-3-19(21)12-14-28-15-18-7-5-17(6-8-18)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419673
PNG
(CHEMBL1944695)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H29N3O3S/c30-22-11-10-21(25-24(22)29-26(32)33-25)23(31)17-28-15-13-19-6-8-20(9-7-19)16-27-14-12-18-4-2-1-3-5-18/h1-11,23,27-28,30-31H,12-17H2,(H,29,32)/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419672
PNG
(CHEMBL1944694)
Show SMILES COc1ccccc1CCNCc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1
Show InChI InChI=1S/C27H31N3O4S/c1-34-24-5-3-2-4-20(24)13-15-28-16-19-8-6-18(7-9-19)12-14-29-17-23(32)21-10-11-22(31)25-26(21)35-27(33)30-25/h2-11,23,28-29,31-32H,12-17H2,1H3,(H,30,33)/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419698
PNG
(CHEMBL1947155)
Show SMILES C[C@@H](NCc1ccccc1-c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1
Show InChI InChI=1S/C32H33N3O3S/c1-21(23-7-3-2-4-8-23)34-19-25-9-5-6-10-26(25)24-13-11-22(12-14-24)17-18-33-20-29(37)27-15-16-28(36)30-31(27)39-32(38)35-30/h2-16,21,29,33-34,36-37H,17-20H2,1H3,(H,35,38)/t21-,29+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419682
PNG
(CHEMBL1945041)
Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C25H26ClN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50213120
PNG
((R,S)-(-)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m0/s1
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n/an/a 2.01n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM221904
PNG
(US9315463, 15)
Show SMILES COc1cc(NC(=O)CCCN[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1/C39H43ClN4O8S2/c1-51-32-20-29(28(40)19-23(32)21-41-22-31(46)26-12-14-30(45)37-27(26)13-15-36(48)44-37)43-35(47)7-2-16-42-24-8-10-25(11-9-24)52-38(49)39(50,33-5-3-17-53-33)34-6-4-18-54-34/h3-6,12-15,17-20,24-25,31,41-42,45-46,50H,2,7-11,16,21-22H2,1H3,(H,43,47)(H,44,48)/t24-,25-,31-/s2
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n/an/a 2.10n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9315463 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM200747
PNG
(US9233108, 9)
Show SMILES COc1cc(-c2noc(CCCN(C)[C@H]3CC[C@@H](CC3)OC(=O)C(O)(c3cccs3)c3cccs3)n2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C41H44ClN5O8S2/c1-47(25-9-11-26(12-10-25)54-40(51)41(52,34-6-4-18-56-34)35-7-5-19-57-35)17-3-8-37-45-39(46-55-37)29-21-33(53-2)24(20-30(29)42)22-43-23-32(49)27-13-15-31(48)38-28(27)14-16-36(50)44-38/h4-7,13-16,18-21,25-26,32,43,48-49,52H,3,8-12,17,22-23H2,1-2H3,(H,44,50)/t25-,26-,32-/m0/s1
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US Patent
n/an/a 2.20n/an/an/an/an/an/a



ALMIRALL, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9233108 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM221903
PNG
(US9315463, 13)
Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@](C)(CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1/C40H45ClN4O8S2/c1-39(53-38(50)40(51,33-6-4-18-54-33)34-7-5-19-55-34)15-12-25(13-16-39)45(2)17-14-36(49)43-29-21-32(52-3)24(20-28(29)41)22-42-23-31(47)26-8-10-30(46)37-27(26)9-11-35(48)44-37/h4-11,18-21,25,31,42,46-47,51H,12-17,22-23H2,1-3H3,(H,43,49)(H,44,48)/t25-,31-,39-/s2
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n/an/a 2.20n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9315463 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25768
PNG
(1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(pro...)
Show SMILES CC(C)NC(C)C(O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human alpha2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419689
PNG
(CHEMBL1945033)
Show SMILES O[C@@H](CNCCc1cccc(CNCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C25H28N4O3S/c30-21-8-7-20(24-23(21)29-25(32)33-24)22(31)16-27-12-9-17-4-3-5-18(14-17)15-26-13-10-19-6-1-2-11-28-19/h1-8,11,14,22,26-27,30-31H,9-10,12-13,15-16H2,(H,29,32)/t22-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM200744
PNG
(US9233108, 5)
Show SMILES CN(CCCc1nc(no1)-c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C40H43N5O7S2/c1-45(27-12-14-28(15-13-27)51-39(49)40(50,33-5-3-21-53-33)34-6-4-22-54-34)20-2-7-36-43-38(44-52-36)26-10-8-25(9-11-26)23-41-24-32(47)29-16-18-31(46)37-30(29)17-19-35(48)42-37/h3-6,8-11,16-19,21-22,27-28,32,41,46-47,50H,2,7,12-15,20,23-24H2,1H3,(H,42,48)/t27-,28-,32-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



ALMIRALL, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9233108 (2016)

More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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n/an/a 2.98n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-2 adrenergic receptor in calf lung membranes.


J Med Chem 25: 931-6 (1982)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM27960
PNG
((2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy...)
Show SMILES CC(C)N[C@@H](C)[C@@H](O)COc1ccc(C)c2CCCc12
Show InChI InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m0/s1
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1 -50.9 3n/an/an/an/a7.422



Intervet Innovation GmbH



Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM200755
PNG
(US9233108, 20)
Show SMILES CC(Cc1ccc(OCC(=O)NCCN[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)cc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C40H46N4O8S2/c1-25(43-23-33(46)30-14-16-32(45)38-31(30)15-17-36(47)44-38)22-26-6-10-28(11-7-26)51-24-37(48)42-19-18-41-27-8-12-29(13-9-27)52-39(49)40(50,34-4-2-20-53-34)35-5-3-21-54-35/h2-7,10-11,14-17,20-21,25,27,29,33,41,43,45-46,50H,8-9,12-13,18-19,22-24H2,1H3,(H,42,48)(H,44,47)/t25?,27-,29-,33-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



ALMIRALL, S.A.

US Patent


Assay Description
The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...


US Patent US9233108 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50213097
PNG
((S,R)-(+)-1-p-methoxyphenyl-2-(beta-3',5'-dihydrox...)
Show SMILES COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C18H23NO4/c1-12(7-13-3-5-17(23-2)6-4-13)19-11-18(22)14-8-15(20)10-16(21)9-14/h3-6,8-10,12,18-22H,7,11H2,1-2H3/t12-,18-/m1/s1
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n/an/a 3.16n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419676
PNG
(CHEMBL1945034)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccn2)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C25H28N4O3S/c30-21-9-8-20(24-23(21)29-25(32)33-24)22(31)16-27-13-10-17-4-6-18(7-5-17)15-26-14-11-19-3-1-2-12-28-19/h1-9,12,22,26-27,30-31H,10-11,13-16H2,(H,29,32)/t22-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50348430
PNG
(CHEMBL1800963 | US9492405, 44)
Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)c2ccccc12
Show InChI InChI=1S/C22H25NO4/c1-14(23-13-21(26)16-10-17(24)12-18(25)11-16)9-15-7-8-22(27-2)20-6-4-3-5-19(15)20/h3-8,10-12,14,21,23-26H,9,13H2,1-2H3/t14-,21+/m1/s1
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n/an/a 3.98n/an/an/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International

US Patent


Assay Description
To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...


US Patent US9492405 (2016)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419696
PNG
(CHEMBL1947153)
Show SMILES O[C@@H](CNCCc1cccc(CN2CCC(CC2)c2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C29H33N3O3S/c33-25-10-9-24(28-27(25)31-29(35)36-28)26(34)18-30-14-11-20-5-4-6-21(17-20)19-32-15-12-23(13-16-32)22-7-2-1-3-8-22/h1-10,17,23,26,30,33-34H,11-16,18-19H2,(H,31,35)/t26-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50119183
PNG
(1-[4-(4-{[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-prop...)
Show SMILES CCCCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CNC[C@H](O)COc2ccc(O)cc2)CC1
Show InChI InChI=1S/C30H46N4O6S/c1-2-3-4-5-6-7-18-32-30(37)33-25-8-14-29(15-9-25)41(38,39)34-19-16-24(17-20-34)21-31-22-27(36)23-40-28-12-10-26(35)11-13-28/h8-15,24,27,31,35-36H,2-7,16-23H2,1H3,(H2,32,33,37)/t27-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Compound was tested for the antagonistic activity against Beta-2 adrenergic receptor


Bioorg Med Chem Lett 12: 2957-61 (2002)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50419700
PNG
(CHEMBL1944689)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2c(Cl)cccc2Cl)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-2-1-3-21(28)18(20)11-13-29-14-17-6-4-16(5-7-17)10-12-30-15-23(33)19-8-9-22(32)24-25(19)35-26(34)31-24/h1-9,23,29-30,32-33H,10-15H2,(H,31,34)/t23-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Citation and Details
More data for this
Ligand-Target Pair
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