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Compile Data Set for Download or QSAR

Found 250 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
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM81499
PNG
(CAS_155346 | CYANOPINDOLOL | CYANOPINDOLOL(+/-) | ...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(cc12)C#N
Show InChI InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3
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n/an/an/a 0.00100n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM81499
PNG
(CAS_155346 | CYANOPINDOLOL | CYANOPINDOLOL(+/-) | ...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(cc12)C#N
Show InChI InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3
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n/an/an/a 0.00100n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50232757
PNG
(CHEMBL4092412)
Show SMILES CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 |r|
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/t16-/m1/s1
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n/an/an/a 0.0182n/an/an/an/an/a



Philipps-University Marburg

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta2-AR expressed in CHOK1 cells assessed as inhibition of cimaterol-induced CRE-SPAP production after 5 hrs


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


Article DOI: 10.1021/acsmedchemlett.6b00363
BindingDB Entry DOI: 10.7270/Q2WM1GNK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50232766
PNG
(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 0.0350n/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
BindingDB Entry DOI: 10.7270/Q2WM1GNK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50232757
PNG
(CHEMBL4092412)
Show SMILES CC(C)(C)NC[C@@H](O)COc1ccccc1-c1ccccc1 |r|
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/t16-/m1/s1
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n/an/an/a 0.0355n/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
BindingDB Entry DOI: 10.7270/Q2WM1GNK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50568740
PNG
(CHEMBL4860528)
Show SMILES CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C
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n/an/an/a 0.0700n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50601551
PNG
(CHEMBL5207281)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
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n/an/an/a 0.0700n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50601574
PNG
(CHEMBL5201074)
Show SMILES Cl.Cl.C[C@@H](NC(=O)\N=C(/N)NCCCc1ncn[nH]1)c1ccccc1 |r|
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n/an/an/a 0.0700n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50601567
PNG
(CHEMBL5206565)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N\C(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1
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n/an/an/a 0.0700n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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 0.100n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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 0.100n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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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n/an/an/a 0.140n/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


(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 0.195n/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...


J Med Chem 62: 7806-7839 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50027879
PNG
(CGP-12177 | CHEBI:73288)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(O)nc12
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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n/an/an/a 0.200n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50027879
PNG
(CGP-12177 | CHEBI:73288)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(O)nc12
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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n/an/an/a 0.200n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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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n/an/an/a 0.210n/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


(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...


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


(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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n/an/an/a 0.245n/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
BindingDB Entry DOI: 10.7270/Q2WM1GNK
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50421329
PNG
(CHEMBL2088201)
Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r|
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


Bioorg Med Chem Lett 22: 6280-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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 |r,c:33,41,t:31|
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...


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


(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 |r,c:37,45,t:35|
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...


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


(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...


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


(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 0.300n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50532364
PNG
(CHEMBL1233766)
Show SMILES CC(C)N[C@@H](C)[C@H](O)COc1ccc(C)c2CCCc12 |r|
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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n/an/an/a 0.300n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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 0.300n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50532364
PNG
(CHEMBL1233766)
Show SMILES CC(C)N[C@@H](C)[C@H](O)COc1ccc(C)c2CCCc12 |r|
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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n/an/an/a 0.300n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes by liquid scintillation counting


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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/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


(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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n/an/an/a 0.410n/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


(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 |r,c:37,45,t:35|
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...


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


(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 |r,c:31,39,t:29|
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...


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


(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 |c:37,45,t:35|
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...


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


(Homo sapiens (Human))
BDBM50493311
PNG
(rel-RITODRINE)
Show SMILES C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m1/s1
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n/an/an/a 0.501n/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM


Bioorg Med Chem Lett 23: 5376-81 (2013)


Article DOI: 10.1016/j.bmcl.2013.07.052
BindingDB Entry DOI: 10.7270/Q2F76GHV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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


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


(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


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


(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/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


(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


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


(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 |c:37,45,t:35|
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...


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


(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 |r,c:37,45,t:35|
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


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


(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...


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


(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


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


(Homo sapiens (Human))
BDBM81499
PNG
(CAS_155346 | CYANOPINDOLOL | CYANOPINDOLOL(+/-) | ...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(cc12)C#N
Show InChI InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3
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n/an/an/a 0.700n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes assessed as intrinsic Kd by liquid scintilla...


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM81499
PNG
(CAS_155346 | CYANOPINDOLOL | CYANOPINDOLOL(+/-) | ...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2[nH]c(cc12)C#N
Show InChI InChI=1S/C16H21N3O2/c1-16(2,3)18-9-12(20)10-21-15-6-4-5-14-13(15)7-11(8-17)19-14/h4-7,12,18-20H,9-10H2,1-3H3
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n/an/an/a 0.700n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from inactive/G protein-uncoupled human beta2-AR expressed in CHO cell membranes assessed as intrinsic Kd by liquid scintilla...


J Med Chem 59: 5780-9 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00358
BindingDB Entry DOI: 10.7270/Q2GH9NF7
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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 |r,c:33,41,t:31|
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


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


(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 |r,c:33,41,t:31|
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...


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


(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/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


(Homo sapiens (Human))
BDBM50518977
PNG
(CHEMBL1160734)
Show SMILES CC(C)NC[C@H](O)COc1ccccc1CC=C |r|
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/t14-/m0/s1
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n/an/an/a 0.891n/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]DHA from beta2 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla...


J Med Chem 62: 7806-7839 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00595
BindingDB Entry DOI: 10.7270/Q2PG1W4K
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(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/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


(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 |r,c:37,45,t:35|
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


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


(Homo sapiens (Human))
BDBM50595336
PNG
(METHOXYPHENAMINE | Methoxyphenamine)
Show SMILES CNC(C)Cc1ccccc1OC
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n/an/an/a 0.980n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114212
BindingDB Entry DOI: 10.7270/Q2N01BNJ
More data for this
Ligand-Target Pair
Beta-2 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 1n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116864
BindingDB Entry DOI: 10.7270/Q241722K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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