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Compile Data Set for Download or QSAR

Found 152 hits of kd data for polymerid = 5059   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(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...


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50232766
PNG
(BERLAFENONE | Berlafenone)
Show SMILES CC(C)(C)NCC(O)COc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H25NO2/c1-19(2,3)20-13-16(21)14-22-18-12-8-7-11-17(18)15-9-5-4-6-10-15/h4-12,16,20-21H,13-14H2,1-3H3
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n/an/an/a 35n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method


ACS Med Chem Lett 8: 481-485 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00363
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(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/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(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/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(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 47n/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


J Med Chem 54: 6874-87 (2011)


Article DOI: 10.1021/jm2008562
BindingDB Entry DOI: 10.7270/Q29S1SBQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(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
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n/an/an/a 50n/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic beta2 receptor


Eur J Med Chem 44: 2840-6 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.016
BindingDB Entry DOI: 10.7270/Q2FQ9XJN
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50077647
PNG
(4-Hydroxy-7-(1-hydroxy-2-methylamino-ethyl)-3H-ben...)
Show SMILES CNCC(O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C10H12N2O3S/c1-11-4-7(14)5-2-3-6(13)8-9(5)16-10(15)12-8/h2-3,7,11,13-14H,4H2,1H3,(H,12,15)
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n/an/an/a 51n/an/an/an/an/a



Kirin Brewery Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity to human Beta-2 adrenergic receptor by using the radioligand [3H]-CGP-12,177


Bioorg Med Chem Lett 9: 1361-4 (1999)


Article DOI: 10.1016/s0960-894x(99)00205-x
BindingDB Entry DOI: 10.7270/Q2NG4PTW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/a 56n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/a 85n/an/an/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50347781
PNG
(CHEMBL1802359)
Show SMILES CC(C)(C)NC[C@H](O)c1ccc2O[B-](O)(O)OCc2c1
Show InChI InChI=1S/C13H21BNO5/c1-13(2,3)15-7-11(16)9-4-5-12-10(6-9)8-19-14(17,18)20-12/h4-6,11,15-18H,7-8H2,1-3H3/q-1/t11-/m0/s1
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n/an/an/a 100n/an/an/an/an/a



Heptares Therapeutics Limited

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic beta2 receptor by radioligand binding assay


J Med Chem 54: 4283-311 (2011)


Article DOI: 10.1021/jm200371q
BindingDB Entry DOI: 10.7270/Q23N23RZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
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n/an/an/a 129n/an/an/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25762
PNG
(CHEMBL471 | N-{4-[1-hydroxy-2-(propan-2-ylamino)et...)
Show SMILES CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
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n/an/an/a 141n/an/an/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
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n/an/an/a 145n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25751
PNG
(Bisoprolol | Bisoprolol fumarate | Concor | [2-hyd...)
Show SMILES CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
Show InChI InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
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n/an/an/a 200n/an/an/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(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/an/a 240n/an/an/a7.7n/a



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

US Patent


Assay Description
HEK 293 cells stability transfected with cDNA encoding human beta2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) wer...


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027878
PNG
(CHEMBL2348198)
Show SMILES OC(CNCCNC(=O)Nc1cccc(F)c1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H34FN3O5/c26-19-4-3-5-20(16-19)29-25(31)28-13-12-27-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,27,30H,1-2,6-7,12-15,17-18H2,(H2,28,29,31)
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n/an/an/a 288n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(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/an/a 339n/an/an/a7.7n/a



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

US Patent


Assay Description
HEK 293 cells stability transfected with cDNA encoding human beta2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) wer...


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(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/an/a 347n/an/an/a7.7n/a



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

US Patent


Assay Description
HEK 293 cells stability transfected with cDNA encoding human beta2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) wer...


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(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/an/a 479n/an/an/a7.7n/a



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

US Patent


Assay Description
HEK 293 cells stability transfected with cDNA encoding human beta2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) wer...


US Patent US9492405 (2016)


BindingDB Entry DOI: 10.7270/Q2CJ8CBM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027887
PNG
(CHEMBL2348212)
Show SMILES Cc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C26H37N3O5/c1-20-6-2-5-9-25(20)29-26(31)28-15-14-27-18-21(30)19-34-24-12-10-23(11-13-24)33-17-16-32-22-7-3-4-8-22/h2,5-6,9-13,21-22,27,30H,3-4,7-8,14-19H2,1H3,(H2,28,29,31)
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n/an/an/a 537n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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n/an/an/a 630n/an/an/an/an/a



Instituto Polit£cnico Nacional

Curated by ChEMBL


Assay Description
Binding affinity to human adrenergic beta2 receptor


Eur J Med Chem 44: 2840-6 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.016
BindingDB Entry DOI: 10.7270/Q2FQ9XJN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25750
PNG
(N-(2-{[(2R)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@H](CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1
Show InChI InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/t14-/m1/s1
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n/an/an/a 661n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25769
PNG
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)
Show SMILES CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
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n/an/an/a 759n/an/an/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25746
PNG
(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)
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n/an/an/a 776n/an/an/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50432701
PNG
(CHEMBL2348201)
Show SMILES OC(CNCCNC(=O)Nc1cccc(Cl)c1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H34ClN3O5/c26-19-4-3-5-20(16-19)29-25(31)28-13-12-27-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,27,30H,1-2,6-7,12-15,17-18H2,(H2,28,29,31)
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n/an/an/a 794n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027874
PNG
(CHEMBL2348203)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1Br)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H34BrN3O5/c26-23-7-3-4-8-24(23)29-25(31)28-14-13-27-17-19(30)18-34-22-11-9-21(10-12-22)33-16-15-32-20-5-1-2-6-20/h3-4,7-12,19-20,27,30H,1-2,5-6,13-18H2,(H2,28,29,31)
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n/an/an/a 794n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25755
PNG
(Acebutolol | Acetobutolol | N-{3-acetyl-4-[2-hydro...)
Show SMILES CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
Show InChI InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)
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n/an/an/a 832n/an/an/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25750
PNG
(N-(2-{[(2R)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]a...)
Show SMILES O[C@H](CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1
Show InChI InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)/t14-/m1/s1
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n/an/an/a 851n/an/an/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027885
PNG
(CHEMBL2348213)
Show SMILES Cc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1
Show InChI InChI=1S/C26H37N3O5/c1-20-5-4-6-21(17-20)29-26(31)28-14-13-27-18-22(30)19-34-25-11-9-24(10-12-25)33-16-15-32-23-7-2-3-8-23/h4-6,9-12,17,22-23,27,30H,2-3,7-8,13-16,18-19H2,1H3,(H2,28,29,31)
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n/an/an/a 871n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50432704
PNG
(CHEMBL2348218)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H34FN3O6/c29-22-3-1-21(2-4-22)13-16-36-17-18-37-26-9-11-27(12-10-26)38-20-25(34)19-30-14-15-31-28(35)32-23-5-7-24(33)8-6-23/h1-12,25,30,33-34H,13-20H2,(H2,31,32,35)
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n/an/an/a 891n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50232754
PNG
(CHEMBL4079127)
Show SMILES CCOC(=O)c1cc(\C=C\c2sc3ccccc3[n+]2C)c2sc3ccccc3n12
Show InChI InChI=1S/C23H19N2O2S2/c1-3-27-23(26)18-14-15(22-25(18)17-9-5-7-11-20(17)29-22)12-13-21-24(2)16-8-4-6-10-19(16)28-21/h4-14H,3H2,1-2H3/q+1
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n/an/an/a 891n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method


ACS Med Chem Lett 8: 481-485 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00363
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027871
PNG
(CHEMBL2348216)
Show SMILES COc1cccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)c1
Show InChI InChI=1S/C26H37N3O6/c1-32-25-8-4-5-20(17-25)29-26(31)28-14-13-27-18-21(30)19-35-24-11-9-23(10-12-24)34-16-15-33-22-6-2-3-7-22/h4-5,8-12,17,21-22,27,30H,2-3,6-7,13-16,18-19H2,1H3,(H2,28,29,31)
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n/an/an/a 891n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25753
PNG
(2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl...)
Show SMILES CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
Show InChI InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
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n/an/an/a 1.02E+3n/an/an/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027884
PNG
(CHEMBL2348204)
Show SMILES OC(CNCCNC(=O)Nc1cccc(Br)c1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H34BrN3O5/c26-19-4-3-5-20(16-19)29-25(31)28-13-12-27-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,27,30H,1-2,6-7,12-15,17-18H2,(H2,28,29,31)
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n/an/an/a 1.02E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25746
PNG
(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)
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n/an/an/a 1.05E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027889
PNG
(CHEMBL2348209)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1O)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H35N3O6/c29-19(17-26-13-14-27-25(31)28-23-7-3-4-8-24(23)30)18-34-22-11-9-21(10-12-22)33-16-15-32-20-5-1-2-6-20/h3-4,7-12,19-20,26,29-30H,1-2,5-6,13-18H2,(H2,27,28,31)
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n/an/an/a 1.10E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027869
PNG
(CHEMBL2348197)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1F)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H34FN3O5/c26-23-7-3-4-8-24(23)29-25(31)28-14-13-27-17-19(30)18-34-22-11-9-21(10-12-22)33-16-15-32-20-5-1-2-6-20/h3-4,7-12,19-20,27,30H,1-2,5-6,13-18H2,(H2,28,29,31)
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n/an/an/a 1.15E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027872
PNG
(CHEMBL2348215)
Show SMILES COc1ccccc1NC(=O)NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C26H37N3O6/c1-32-25-9-5-4-8-24(25)29-26(31)28-15-14-27-18-20(30)19-35-23-12-10-22(11-13-23)34-17-16-33-21-6-2-3-7-21/h4-5,8-13,20-21,27,30H,2-3,6-7,14-19H2,1H3,(H2,28,29,31)
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n/an/an/a 1.18E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50432702
PNG
(CHEMBL2348211)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H35N3O5/c29-21(18-26-14-15-27-25(30)28-20-6-2-1-3-7-20)19-33-24-12-10-23(11-13-24)32-17-16-31-22-8-4-5-9-22/h1-3,6-7,10-13,21-22,26,29H,4-5,8-9,14-19H2,(H2,27,28,30)
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n/an/an/a 1.20E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027877
PNG
(CHEMBL2348199)
Show SMILES OC(CNCCNC(=O)Nc1ccc(F)cc1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H34FN3O5/c26-19-5-7-20(8-6-19)29-25(31)28-14-13-27-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,27,30H,1-4,13-18H2,(H2,28,29,31)
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n/an/an/a 1.20E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50432704
PNG
(CHEMBL2348218)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H34FN3O6/c29-22-3-1-21(2-4-22)13-16-36-17-18-37-26-9-11-27(12-10-26)38-20-25(34)19-30-14-15-31-28(35)32-23-5-7-24(33)8-6-23/h1-12,25,30,33-34H,13-20H2,(H2,31,32,35)
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n/an/an/a 1.23E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027875
PNG
(CHEMBL2348202)
Show SMILES OC(CNCCNC(=O)Nc1ccc(Cl)cc1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H34ClN3O5/c26-19-5-7-20(8-6-19)29-25(31)28-14-13-27-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,27,30H,1-4,13-18H2,(H2,28,29,31)
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n/an/an/a 1.23E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25754
PNG
(2-[4-(2-{[(2R)-2-hydroxy-3-phenoxypropyl]amino}eth...)
Show SMILES O[C@H](CNCCOc1ccc(OCC(O)=O)cc1)COc1ccccc1
Show InChI InChI=1S/C19H23NO6/c21-15(13-25-16-4-2-1-3-5-16)12-20-10-11-24-17-6-8-18(9-7-17)26-14-19(22)23/h1-9,15,20-21H,10-14H2,(H,22,23)/t15-/m1/s1
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n/an/an/a 1.38E+3n/an/an/an/an/a



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...


Br J Pharmacol 144: 317-22 (2005)


Article DOI: 10.1038/sj.bjp.0706048
BindingDB Entry DOI: 10.7270/Q28C9TKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027870
PNG
(CHEMBL2348196)
Show SMILES COc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1
Show InChI InChI=1S/C26H37N3O6/c1-32-22-8-6-20(7-9-22)29-26(31)28-15-14-27-18-21(30)19-35-25-12-10-24(11-13-25)34-17-16-33-23-4-2-3-5-23/h6-13,21,23,27,30H,2-5,14-19H2,1H3,(H2,28,29,31)
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n/an/an/a 1.38E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027883
PNG
(CHEMBL2348205)
Show SMILES OC(CNCCNC(=O)Nc1ccc(Br)cc1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H34BrN3O5/c26-19-5-7-20(8-6-19)29-25(31)28-14-13-27-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,27,30H,1-4,13-18H2,(H2,28,29,31)
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n/an/an/a 1.38E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027881
PNG
(CHEMBL2348207)
Show SMILES OC(CNCCNC(=O)Nc1cccc(c1)C(F)(F)F)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C26H34F3N3O5/c27-26(28,29)19-4-3-5-20(16-19)32-25(34)31-13-12-30-17-21(33)18-37-24-10-8-23(9-11-24)36-15-14-35-22-6-1-2-7-22/h3-5,8-11,16,21-22,30,33H,1-2,6-7,12-15,17-18H2,(H2,31,32,34)
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n/an/an/a 1.38E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027888
PNG
(CHEMBL2348210)
Show SMILES OC(CNCCNC(=O)Nc1cccc(O)c1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H35N3O6/c29-20-5-3-4-19(16-20)28-25(31)27-13-12-26-17-21(30)18-34-24-10-8-23(9-11-24)33-15-14-32-22-6-1-2-7-22/h3-5,8-11,16,21-22,26,29-30H,1-2,6-7,12-15,17-18H2,(H2,27,28,31)
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n/an/an/a 1.41E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50432705
PNG
(CHEMBL2348219)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H35N3O6/c29-20-7-5-19(6-8-20)28-25(31)27-14-13-26-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,26,29-30H,1-4,13-18H2,(H2,27,28,31)
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n/an/an/a 1.45E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as inhibition of cimaterol-induced [3H]cAMP accumulation incubated ...


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50027882
PNG
(CHEMBL2348206)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1C(F)(F)F)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C26H34F3N3O5/c27-26(28,29)23-7-3-4-8-24(23)32-25(34)31-14-13-30-17-19(33)18-37-22-11-9-21(10-12-22)36-16-15-35-20-5-1-2-6-20/h3-4,7-12,19-20,30,33H,1-2,5-6,13-18H2,(H2,31,32,34)
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n/an/an/a 1.45E+3n/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


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM25746
PNG
(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)
Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)
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n/an/an/a 1.45E+3n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Displacement of [3H](-)CGP12177 from human beta2-AR expressed in CHOK1 cells after 2 hrs by TopCount microscintillation counting method


ACS Med Chem Lett 8: 481-485 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00363
More data for this
Ligand-Target Pair
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