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Compile Data Set for Download or QSAR

Found 121 hits Enz. Inhib. hit(s) with all data for entry = 50042886   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-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 2.63E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta3 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-1 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 9.10n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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-1 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 47n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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-1 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 12n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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-1 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 13n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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-1 adrenergic receptor


(Homo sapiens (human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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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 beta1 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-1 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 102n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027880
PNG
(CHEMBL2348208)
Show SMILES OC(CNCCNC(=O)Nc1ccc(cc1)C(F)(F)F)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C26H34F3N3O5/c27-26(28,29)19-5-7-20(8-6-19)32-25(34)31-14-13-30-17-21(33)18-37-24-11-9-23(10-12-24)36-16-15-35-22-3-1-2-4-22/h5-12,21-22,30,33H,1-4,13-18H2,(H2,31,32,34)
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n/an/an/a 20n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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-1 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 17n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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-1 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 115n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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-1 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 17n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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-3 adrenergic receptor


(Homo sapiens (human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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n/an/an/a>1.00E+4n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta3 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-1 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 12n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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-1 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/an/a 12n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


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))
BDBM50432700
PNG
(AB-A-663 | AC-263780 | CIMATEROL)
Show SMILES CC(C)NCC(O)c1ccc(N)c(c1)C#N
Show InChI InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


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-1 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 1.80n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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-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>1.00E+4n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta3 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-1 adrenergic receptor


(Homo sapiens (human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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n/an/an/a 9.10n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGP12177 from human beta1 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))
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/an/a 60n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


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-1 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 0.331n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta1 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))
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))
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))
BDBM50027876
PNG
(CHEMBL2348200)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1Cl)COc1ccc(OCCOC2CCCC2)cc1
Show InChI InChI=1S/C25H34ClN3O5/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 2.88E+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))
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 2.04E+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-1 adrenergic receptor


(Homo sapiens (human))
BDBM50432706
PNG
(CHEMBL2348220)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1
Show InChI InChI=1S/C24H33N3O6/c28-20-5-3-19(4-6-20)27-24(30)26-12-11-25-15-21(29)17-33-23-9-7-22(8-10-23)32-14-13-31-16-18-1-2-18/h3-10,18,21,25,28-29H,1-2,11-17H2,(H2,26,27,30)
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n/an/an/an/a 9.80n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


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-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 6.03E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta3 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))
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-1 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/an/a 3.60n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


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-1 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/an/a 2.30n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


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))
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-1 adrenergic receptor


(Homo sapiens (human))
BDBM50432703
PNG
(CHEMBL2348217)
Show SMILES CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C22H31N3O6/c1-2-29-13-14-30-20-7-9-21(10-8-20)31-16-19(27)15-23-11-12-24-22(28)25-17-3-5-18(26)6-4-17/h3-10,19,23,26-27H,2,11-16H2,1H3,(H2,24,25,28)
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n/an/an/an/a 23n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


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))
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-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 2.00E+4n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta3 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))
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/an/a 708n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


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 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-3 adrenergic receptor


(Homo sapiens (human))
BDBM50432706
PNG
(CHEMBL2348220)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1
Show InChI InChI=1S/C24H33N3O6/c28-20-5-3-19(4-6-20)27-24(30)26-12-11-25-15-21(29)17-33-23-9-7-22(8-10-23)32-14-13-31-16-18-1-2-18/h3-10,18,21,25,28-29H,1-2,11-17H2,(H2,26,27,30)
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n/an/an/an/a 1.00E+4n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Agonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


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-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 1.91E+3n/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Antagonist activity at human beta3 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))
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))
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 2.63E+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))
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))
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))
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-1 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/an/a 4.5n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


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))
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))
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))
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))
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-1 adrenergic receptor


(Homo sapiens (human))
BDBM50432707
PNG
(LK-204-545 | LK-204545)
Show SMILES OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCC2CC2)cc1C#N
Show InChI InChI=1S/C25H32N4O6/c26-14-19-13-23(34-12-11-33-16-18-1-2-18)7-8-24(19)35-17-22(31)15-27-9-10-28-25(32)29-20-3-5-21(30)6-4-20/h3-8,13,18,22,27,30-31H,1-2,9-12,15-17H2,(H2,28,29,32)
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n/an/an/an/a 2.30n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


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
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