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Compile Data Set for Download or QSAR

Found 135 hits of kd data for polymerid = 5059   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM25765
PNG
(Bupranolol | KL 255 | Ophtorenin | tert-butyl[3-(2...)
Show SMILES Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
Show InChI InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
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PubMed
n/an/an/a 0.140n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


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


(Homo sapiens (Human))
BDBM25767
PNG
(Timolol | racemic-Timolol | tert-butyl(2-hydroxy-3...)
Show SMILES CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1
Show InChI InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3
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PubMed
n/an/an/a 0.210n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


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


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 0.240n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM50421329
PNG
(CHEMBL2088201)
Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
Show InChI InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1
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n/an/an/a 0.260n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Kinetic binding affinity to human beta2-adrenoceptor


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


(Homo sapiens (Human))
BDBM50423821
PNG
(CHEMBL1830486)
Show SMILES O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C46H50BF2N5O5S/c48-47(49)53-36(20-21-37(53)30-38-22-25-42(54(38)47)44-14-9-29-60-44)19-16-34-17-23-40(24-18-34)58-33-46(57)52-27-5-1-2-15-45(56)51-28-7-6-26-50-31-39(55)32-59-43-13-8-11-35-10-3-4-12-41(35)43/h3-4,8-14,16-25,29-30,39,50,55H,1-2,5-7,15,26-28,31-33H2,(H,51,56)(H,52,57)/b19-16+/t39-/m0/s1
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n/an/an/a 0.275n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM50423827
PNG
(CHEMBL1830491)
Show SMILES O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C48H54BF2N5O7S/c50-49(51)55-38(18-19-39(55)32-40-20-23-44(56(40)49)46-12-7-31-64-46)17-14-36-15-21-42(22-16-36)62-35-48(59)53-24-5-1-2-13-47(58)54-26-28-61-30-29-60-27-25-52-33-41(57)34-63-45-11-6-9-37-8-3-4-10-43(37)45/h3-4,6-12,14-23,31-32,41,52,57H,1-2,5,13,24-30,33-35H2,(H,53,59)(H,54,58)/b17-14+/t41-/m0/s1
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n/an/an/a 0.295n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
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/an/a 0.295n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM25759
PNG
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)
Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
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n/an/an/a 0.400n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


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


(Homo sapiens (Human))
BDBM25747
PNG
(4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dihyd...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(=O)[nH]c12
Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)
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PubMed
n/an/an/a 0.410n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


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


(Homo sapiens (Human))
BDBM50423829
PNG
(CHEMBL1830485)
Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20-23-40(52(36)45)42-12-7-27-58-42)17-14-32-15-21-38(22-16-32)56-31-44(55)49-24-5-1-2-13-43(54)50-26-25-48-29-37(53)30-57-41-11-6-9-33-8-3-4-10-39(33)41/h3-4,6-12,14-23,27-28,37,48,53H,1-2,5,13,24-26,29-31H2,(H,49,55)(H,50,54)/b17-14+/t37-/m0/s1
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n/an/an/a 0.427n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM50423824
PNG
(CHEMBL1830618)
Show SMILES O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C47H56BF2N5O7S/c1-2-9-37-10-5-6-11-44(37)62-34-41(56)33-51-25-27-59-29-30-60-28-26-53-46(57)13-4-3-7-24-52-47(58)35-61-42-21-15-36(16-22-42)14-17-38-18-19-39-32-40-20-23-43(45-12-8-31-63-45)55(40)48(49,50)54(38)39/h2,5-6,8,10-12,14-23,31-32,41,51,56H,1,3-4,7,9,13,24-30,33-35H2,(H,52,58)(H,53,57)/b17-14+/t41-/m0/s1
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n/an/an/a 0.427n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM50423826
PNG
(CHEMBL1830492)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C48H54BF2N5O7S/c50-49(51)55-38(18-19-39(55)32-40-20-23-44(56(40)49)46-12-7-31-64-46)17-14-36-15-21-42(22-16-36)62-35-48(59)53-24-5-1-2-13-47(58)54-26-28-61-30-29-60-27-25-52-33-41(57)34-63-45-11-6-9-37-8-3-4-10-43(37)45/h3-4,6-12,14-23,31-32,41,52,57H,1-2,5,13,24-30,33-35H2,(H,53,59)(H,54,58)/b17-14+
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n/an/an/a 0.437n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
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/an/a 0.501n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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n/an/an/a 0.537n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


Citation and Details
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/an/a 0.550n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


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


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 0.603n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50423827
PNG
(CHEMBL1830491)
Show SMILES O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C48H54BF2N5O7S/c50-49(51)55-38(18-19-39(55)32-40-20-23-44(56(40)49)46-12-7-31-64-46)17-14-36-15-21-42(22-16-36)62-35-48(59)53-24-5-1-2-13-47(58)54-26-28-61-30-29-60-27-25-52-33-41(57)34-63-45-11-6-9-37-8-3-4-10-43(37)45/h3-4,6-12,14-23,31-32,41,52,57H,1-2,5,13,24-30,33-35H2,(H,53,59)(H,54,58)/b17-14+/t41-/m0/s1
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n/an/an/a 0.617n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50423818
PNG
(CHEMBL1830619)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C47H56BF2N5O7S/c1-2-9-37-10-5-6-11-44(37)62-34-41(56)33-51-25-27-59-29-30-60-28-26-53-46(57)13-4-3-7-24-52-47(58)35-61-42-21-15-36(16-22-42)14-17-38-18-19-39-32-40-20-23-43(45-12-8-31-63-45)55(40)48(49,50)54(38)39/h2,5-6,8,10-12,14-23,31-32,41,51,56H,1,3-4,7,9,13,24-30,33-35H2,(H,52,58)(H,53,57)/b17-14+
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n/an/an/a 0.617n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM50019443
PNG
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)
Show SMILES CC(C)NCC(O)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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n/an/an/a 0.661n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


Citation and Details
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/an/a 0.676n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta2 adrenoceptor expressed in CHOK1 cells after 2 hrs by scintillation counting analysis


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


(Homo sapiens (Human))
BDBM50423821
PNG
(CHEMBL1830486)
Show SMILES O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C46H50BF2N5O5S/c48-47(49)53-36(20-21-37(53)30-38-22-25-42(54(38)47)44-14-9-29-60-44)19-16-34-17-23-40(24-18-34)58-33-46(57)52-27-5-1-2-15-45(56)51-28-7-6-26-50-31-39(55)32-59-43-13-8-11-35-10-3-4-12-41(35)43/h3-4,8-14,16-25,29-30,39,50,55H,1-2,5-7,15,26-28,31-33H2,(H,51,56)(H,52,57)/b19-16+/t39-/m0/s1
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n/an/an/a 0.724n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50423821
PNG
(CHEMBL1830486)
Show SMILES O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C46H50BF2N5O5S/c48-47(49)53-36(20-21-37(53)30-38-22-25-42(54(38)47)44-14-9-29-60-44)19-16-34-17-23-40(24-18-34)58-33-46(57)52-27-5-1-2-15-45(56)51-28-7-6-26-50-31-39(55)32-59-43-13-8-11-35-10-3-4-12-41(35)43/h3-4,8-14,16-25,29-30,39,50,55H,1-2,5-7,15,26-28,31-33H2,(H,51,56)(H,52,57)/b19-16+/t39-/m0/s1
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n/an/an/a 0.741n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 0.830n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


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


(Homo sapiens (Human))
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/an/a 0.910n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


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


(Homo sapiens (Human))
BDBM50423824
PNG
(CHEMBL1830618)
Show SMILES O[C@@H](CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C47H56BF2N5O7S/c1-2-9-37-10-5-6-11-44(37)62-34-41(56)33-51-25-27-59-29-30-60-28-26-53-46(57)13-4-3-7-24-52-47(58)35-61-42-21-15-36(16-22-42)14-17-38-18-19-39-32-40-20-23-43(45-12-8-31-63-45)55(40)48(49,50)54(38)39/h2,5-6,8,10-12,14-23,31-32,41,51,56H,1,3-4,7,9,13,24-30,33-35H2,(H,52,58)(H,53,57)/b17-14+/t41-/m0/s1
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n/an/an/a 0.933n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50241366
PNG
((S)-1-(isopropylamino)-3-(m-tolyloxy)propan-2-ol |...)
Show SMILES CC(C)NC[C@H](O)COc1cccc(C)c1
Show InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3/t12-/m0/s1
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n/an/an/a 1.20n/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to beta2 adrenergic receptor


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


(Homo sapiens (Human))
BDBM50423818
PNG
(CHEMBL1830619)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C47H56BF2N5O7S/c1-2-9-37-10-5-6-11-44(37)62-34-41(56)33-51-25-27-59-29-30-60-28-26-53-46(57)13-4-3-7-24-52-47(58)35-61-42-21-15-36(16-22-42)14-17-38-18-19-39-32-40-20-23-43(45-12-8-31-63-45)55(40)48(49,50)54(38)39/h2,5-6,8,10-12,14-23,31-32,41,51,56H,1,3-4,7,9,13,24-30,33-35H2,(H,52,58)(H,53,57)/b17-14+
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n/an/an/a 1.20n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50423821
PNG
(CHEMBL1830486)
Show SMILES O[C@@H](CNCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C46H50BF2N5O5S/c48-47(49)53-36(20-21-37(53)30-38-22-25-42(54(38)47)44-14-9-29-60-44)19-16-34-17-23-40(24-18-34)58-33-46(57)52-27-5-1-2-15-45(56)51-28-7-6-26-50-31-39(55)32-59-43-13-8-11-35-10-3-4-12-41(35)43/h3-4,8-14,16-25,29-30,39,50,55H,1-2,5-7,15,26-28,31-33H2,(H,51,56)(H,52,57)/b19-16+/t39-/m0/s1
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n/an/an/a 1.30n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50423829
PNG
(CHEMBL1830485)
Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20-23-40(52(36)45)42-12-7-27-58-42)17-14-32-15-21-38(22-16-32)56-31-44(55)49-24-5-1-2-13-43(54)50-26-25-48-29-37(53)30-57-41-11-6-9-33-8-3-4-10-39(33)41/h3-4,6-12,14-23,27-28,37,48,53H,1-2,5,13,24-26,29-31H2,(H,49,55)(H,50,54)/b17-14+/t37-/m0/s1
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n/an/an/a 1.40n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM25771
PNG
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
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n/an/an/a 1.47n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


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


(Homo sapiens (Human))
BDBM50423819
PNG
(CHEMBL1830617)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C43H48BF2N5O5S/c1-2-9-33-10-5-6-11-40(33)56-30-37(52)29-47-25-26-49-42(53)13-4-3-7-24-48-43(54)31-55-38-21-15-32(16-22-38)14-17-34-18-19-35-28-36-20-23-39(41-12-8-27-57-41)51(36)44(45,46)50(34)35/h2,5-6,8,10-12,14-23,27-28,37,47,52H,1,3-4,7,9,13,24-26,29-31H2,(H,48,54)(H,49,53)/b17-14+
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n/an/an/a 1.60n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM50423820
PNG
(CHEMBL1830487)
Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1
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n/an/an/a 1.70n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM50423825
PNG
(CHEMBL1830493)
Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C43H48BF2N5O5S/c1-2-9-33-10-5-6-11-40(33)56-30-37(52)29-47-25-26-49-42(53)13-4-3-7-24-48-43(54)31-55-38-21-15-32(16-22-38)14-17-34-18-19-35-28-36-20-23-39(41-12-8-27-57-41)51(36)44(45,46)50(34)35/h2,5-6,8,10-12,14-23,27-28,37,47,52H,1,3-4,7,9,13,24-26,29-31H2,(H,48,54)(H,49,53)/b17-14+/t37-/m0/s1
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n/an/an/a 1.80n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM50423819
PNG
(CHEMBL1830617)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C43H48BF2N5O5S/c1-2-9-33-10-5-6-11-40(33)56-30-37(52)29-47-25-26-49-42(53)13-4-3-7-24-48-43(54)31-55-38-21-15-32(16-22-38)14-17-34-18-19-35-28-36-20-23-39(41-12-8-27-57-41)51(36)44(45,46)50(34)35/h2,5-6,8,10-12,14-23,27-28,37,47,52H,1,3-4,7,9,13,24-26,29-31H2,(H,48,54)(H,49,53)/b17-14+
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n/an/an/a 2.30n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50423820
PNG
(CHEMBL1830487)
Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1
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n/an/an/a 2.5n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM25766
PNG
((2R,3S)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12
Show InChI InChI=1S/C17H27NO4/c1-17(2,3)18-9-12(19)10-22-16-6-4-5-11-7-14(20)15(21)8-13(11)16/h4-6,12,14-15,18-21H,7-10H2,1-3H3/t12?,14-,15+/m1/s1
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n/an/an/a 2.5n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


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


(Homo sapiens (Human))
BDBM50423828
PNG
(CHEMBL1830488)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20-23-40(52(36)45)42-12-7-27-58-42)17-14-32-15-21-38(22-16-32)56-31-44(55)49-24-5-1-2-13-43(54)50-26-25-48-29-37(53)30-57-41-11-6-9-33-8-3-4-10-39(33)41/h3-4,6-12,14-23,27-28,37,48,53H,1-2,5,13,24-26,29-31H2,(H,49,55)(H,50,54)/b17-14+
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n/an/an/a 2.60n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM50423828
PNG
(CHEMBL1830488)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C44H46BF2N5O5S/c46-45(47)51-34(18-19-35(51)28-36-20-23-40(52(36)45)42-12-7-27-58-42)17-14-32-15-21-38(22-16-32)56-31-44(55)49-24-5-1-2-13-43(54)50-26-25-48-29-37(53)30-57-41-11-6-9-33-8-3-4-10-39(33)41/h3-4,6-12,14-23,27-28,37,48,53H,1-2,5,13,24-26,29-31H2,(H,49,55)(H,50,54)/b17-14+
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n/an/an/a 2.80n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50423825
PNG
(CHEMBL1830493)
Show SMILES O[C@@H](CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1ccccc1CC=C
Show InChI InChI=1S/C43H48BF2N5O5S/c1-2-9-33-10-5-6-11-40(33)56-30-37(52)29-47-25-26-49-42(53)13-4-3-7-24-48-43(54)31-55-38-21-15-32(16-22-38)14-17-34-18-19-35-28-36-20-23-39(41-12-8-27-57-41)51(36)44(45,46)50(34)35/h2,5-6,8,10-12,14-23,27-28,37,47,52H,1,3-4,7,9,13,24-26,29-31H2,(H,48,54)(H,49,53)/b17-14+/t37-/m0/s1
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n/an/an/a 2.90n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50423826
PNG
(CHEMBL1830492)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C48H54BF2N5O7S/c50-49(51)55-38(18-19-39(55)32-40-20-23-44(56(40)49)46-12-7-31-64-46)17-14-36-15-21-42(22-16-36)62-35-48(59)53-24-5-1-2-13-47(58)54-26-28-61-30-29-60-27-25-52-33-41(57)34-63-45-11-6-9-37-8-3-4-10-43(37)45/h3-4,6-12,14-23,31-32,41,52,57H,1-2,5,13,24-30,33-35H2,(H,53,59)(H,54,58)/b17-14+
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n/an/an/a 3.30n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50423820
PNG
(CHEMBL1830487)
Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1
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n/an/an/a 5.80n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


Citation and Details
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/an/a 6.30n/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic beta2 receptor


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


(Homo sapiens (Human))
BDBM50423820
PNG
(CHEMBL1830487)
Show SMILES O[C@@H](CNCCCCCCCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2ccccc12
Show InChI InChI=1S/C50H58BF2N5O5S/c52-51(53)57-40(24-25-41(57)34-42-26-29-46(58(42)51)48-18-13-33-64-48)23-20-38-21-27-44(28-22-38)62-37-50(61)56-32-11-5-6-19-49(60)55-31-10-4-2-1-3-9-30-54-35-43(59)36-63-47-17-12-15-39-14-7-8-16-45(39)47/h7-8,12-18,20-29,33-34,43,54,59H,1-6,9-11,19,30-32,35-37H2,(H,55,60)(H,56,61)/b23-20+/t43-/m0/s1
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n/an/an/a 7.10n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50423822
PNG
(CHEMBL1830621)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C46H53BF2N6O7S/c48-47(49)54-35(14-15-36(54)30-37-16-19-42(55(37)47)44-8-5-29-63-44)13-10-34-11-17-39(18-12-34)61-33-46(58)52-21-3-1-2-9-45(57)53-24-26-60-28-27-59-25-23-50-31-38(56)32-62-43-7-4-6-41-40(43)20-22-51-41/h4-8,10-20,22,29-30,38,50-51,56H,1-3,9,21,23-28,31-33H2,(H,52,58)(H,53,57)/b13-10+
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n/an/an/a 7.20n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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n/an/an/a 7.90n/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic beta2 receptor


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


(Homo sapiens (Human))
BDBM25758
PNG
(2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amin...)
Show SMILES CC(CCc1ccccc1)NCC(O)c1ccc(O)c(c1)C(N)=O
Show InChI InChI=1S/C19H24N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24)
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n/an/an/a 9.30n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


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


(Homo sapiens (Human))
BDBM50423822
PNG
(CHEMBL1830621)
Show SMILES OC(CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C46H53BF2N6O7S/c48-47(49)54-35(14-15-36(54)30-37-16-19-42(55(37)47)44-8-5-29-63-44)13-10-34-11-17-39(18-12-34)61-33-46(58)52-21-3-1-2-9-45(57)53-24-26-60-28-27-59-25-23-50-31-38(56)32-62-43-7-4-6-41-40(43)20-22-51-41/h4-8,10-20,22,29-30,38,50-51,56H,1-3,9,21,23-28,31-33H2,(H,52,58)(H,53,57)/b13-10+
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n/an/an/a 11n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP 12177 from human beta-2 adrenergic receptor expressed in CHOK1 cells


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


(Homo sapiens (Human))
BDBM50423823
PNG
(CHEMBL1830620)
Show SMILES OC(CNCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\c2ccc3C=C4C=CC(c5cccs5)=[N+]4[B-](F)(F)n23)cc1)COc1cccc2[nH]ccc12
Show InChI InChI=1S/C42H45BF2N6O5S/c44-43(45)50-31(14-15-32(50)26-33-16-19-38(51(33)43)40-8-5-25-57-40)13-10-30-11-17-35(18-12-30)55-29-42(54)48-21-3-1-2-9-41(53)49-24-23-46-27-34(52)28-56-39-7-4-6-37-36(39)20-22-47-37/h4-8,10-20,22,25-26,34,46-47,52H,1-3,9,21,23-24,27-29H2,(H,48,54)(H,49,53)/b13-10+
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n/an/an/a 30n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta-2 adrenergic receptor expressed in salbutamol-stimulated CHO-K1 cells assessed as CRE-SPAP level by fluorescence co...


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


(Homo sapiens (Human))
BDBM25752
PNG
(Betaxolol | Levobetaxolol | [(2S)-3-{4-[2-(cyclopr...)
Show SMILES CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
Show InChI InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
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n/an/an/a 42n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


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


(Homo sapiens (Human))
BDBM25760
PNG
(1-(naphthalen-2-yl)-2-(propan-2-ylamino)ethan-1-ol...)
Show SMILES CC(C)NCC(O)c1ccc2ccccc2c1
Show InChI InChI=1S/C15H19NO/c1-11(2)16-10-15(17)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-17H,10H2,1-2H3
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n/an/an/a 44n/an/an/a7.437



University of Nottingham



Assay Description
The whole cell-binding studies were undertaken in CHO cell lines stably expressing each beta-adrenoceptor subtype. Nonspecific binding was determined...


Citation and Details
More data for this
Ligand-Target Pair
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