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44 similar compounds to monomer 50419680

Wt: 240.2
BDBM50077647
Wt: 346.4
BDBM50324834
Wt: 310.4
BDBM50324839
Wt: 338.4
BDBM50324842
Wt: 330.4
BDBM50324844
Wt: 344.4
BDBM50324846
Wt: 358.4
BDBM50324847
Wt: 380.4
BDBM50324851
Wt: 380.4
BDBM50324852
Wt: 503.6
BDBM50419696
Wt: 537.6
BDBM50419697
Wt: 539.6
BDBM50419698
Wt: 525.6
BDBM50419699
Wt: 532.4
BDBM50419700
Wt: 481.5
BDBM50419701
Displayed 1 to 15 (of 44 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50077647,50324834,50324839,50324842,50324844,50324846,50324847,50324851,50324852,50419696,50419697,50419698,50419699,50419700,50419701   
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 and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50324847
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(2-methyl-1-phenylpro...)
Show SMILES CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H22N2O3S/c1-19(2,10-12-6-4-3-5-7-12)20-11-15(23)13-8-9-14(22)16-17(13)25-18(24)21-16/h3-9,15,20,22-23H,10-11H2,1-2H3,(H,21,24)/t15-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50324846
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(3-phenylpropylamino)...)
Show SMILES O[C@@H](CNCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C18H20N2O3S/c21-14-9-8-13(17-16(14)20-18(23)24-17)15(22)11-19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15,19,21-22H,4,7,10-11H2,(H,20,23)/t15-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324851
PNG
(4-hydroxy-7-((R)-1-hydroxy-2-((R)-1-(naphthalen-2-...)
Show SMILES C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H20N2O3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)22-11-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h2-10,12,18,22,24-25H,11H2,1H3,(H,23,26)/t12-,18+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50324844
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(phenethylamino)ethyl...)
Show SMILES O[C@@H](CNCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C17H18N2O3S/c20-13-7-6-12(16-15(13)19-17(22)23-16)14(21)10-18-9-8-11-4-2-1-3-5-11/h1-7,14,18,20-21H,8-10H2,(H,19,22)/t14-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324847
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(2-methyl-1-phenylpro...)
Show SMILES CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H22N2O3S/c1-19(2,10-12-6-4-3-5-7-12)20-11-15(23)13-8-9-14(22)16-17(13)25-18(24)21-16/h3-9,15,20,22-23H,10-11H2,1-2H3,(H,21,24)/t15-/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50324842
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(2,4,4-trimethylpenta...)
Show SMILES CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C17H26N2O3S/c1-16(2,3)9-17(4,5)18-8-12(21)10-6-7-11(20)13-14(10)23-15(22)19-13/h6-7,12,18,20-21H,8-9H2,1-5H3,(H,19,22)/t12-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324846
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(3-phenylpropylamino)...)
Show SMILES O[C@@H](CNCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C18H20N2O3S/c21-14-9-8-13(17-16(14)20-18(23)24-17)15(22)11-19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15,19,21-22H,4,7,10-11H2,(H,20,23)/t15-/m0/s1
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2n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50324851
PNG
(4-hydroxy-7-((R)-1-hydroxy-2-((R)-1-(naphthalen-2-...)
Show SMILES C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H20N2O3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)22-11-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h2-10,12,18,22,24-25H,11H2,1H3,(H,23,26)/t12-,18+/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324844
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(phenethylamino)ethyl...)
Show SMILES O[C@@H](CNCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C17H18N2O3S/c20-13-7-6-12(16-15(13)19-17(22)23-16)14(21)10-18-9-8-11-4-2-1-3-5-11/h1-7,14,18,20-21H,8-10H2,(H,19,22)/t14-/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50324834
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(2-phenoxyethylamino)...)
Show SMILES O[C@@H](CNCCOc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C17H18N2O4S/c20-13-7-6-12(16-15(13)19-17(22)24-16)14(21)10-18-8-9-23-11-4-2-1-3-5-11/h1-7,14,18,20-21H,8-10H2,(H,19,22)/t14-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
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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5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324842
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(2,4,4-trimethylpenta...)
Show SMILES CC(C)(C)CC(C)(C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C17H26N2O3S/c1-16(2,3)9-17(4,5)18-8-12(21)10-6-7-11(20)13-14(10)23-15(22)19-13/h6-7,12,18,20-21H,8-9H2,1-5H3,(H,19,22)/t12-/m0/s1
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9.20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324834
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(2-phenoxyethylamino)...)
Show SMILES O[C@@H](CNCCOc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C17H18N2O4S/c20-13-7-6-12(16-15(13)19-17(22)24-16)14(21)10-18-8-9-23-11-4-2-1-3-5-11/h1-7,14,18,20-21H,8-10H2,(H,19,22)/t14-/m0/s1
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18n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50324839
PNG
((R)-7-(2-(2-ethylbutylamino)-1-hydroxyethyl)-4-hyd...)
Show SMILES CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C15H22N2O3S/c1-3-9(4-2)7-16-8-12(19)10-5-6-11(18)13-14(10)21-15(20)17-13/h5-6,9,12,16,18-19H,3-4,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1
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25n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324852
PNG
(4-hydroxy-7-((R)-1-hydroxy-2-((S)-1-(naphthalen-2-...)
Show SMILES C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H20N2O3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)22-11-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h2-10,12,18,22,24-25H,11H2,1H3,(H,23,26)/t12-,18-/m0/s1
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34n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50324852
PNG
(4-hydroxy-7-((R)-1-hydroxy-2-((S)-1-(naphthalen-2-...)
Show SMILES C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H20N2O3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)22-11-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h2-10,12,18,22,24-25H,11H2,1H3,(H,23,26)/t12-,18-/m0/s1
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49n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-1 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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61n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324839
PNG
((R)-7-(2-(2-ethylbutylamino)-1-hydroxyethyl)-4-hyd...)
Show SMILES CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C15H22N2O3S/c1-3-9(4-2)7-16-8-12(19)10-5-6-11(18)13-14(10)21-15(20)17-13/h5-6,9,12,16,18-19H,3-4,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1
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169n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50419701
PNG
(CHEMBL1944692)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2F)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H28FN3O3S/c27-21-4-2-1-3-19(21)12-14-28-15-18-7-5-17(6-8-18)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50419700
PNG
(CHEMBL1944689)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2c(Cl)cccc2Cl)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-2-1-3-21(28)18(20)11-13-29-14-17-6-4-16(5-7-17)10-12-30-15-23(33)19-8-9-22(32)24-25(19)35-26(34)31-24/h1-9,23,29-30,32-33H,10-15H2,(H,31,34)/t23-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor expressed in HEK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50419700
PNG
(CHEMBL1944689)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2c(Cl)cccc2Cl)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-2-1-3-21(28)18(20)11-13-29-14-17-6-4-16(5-7-17)10-12-30-15-23(33)19-8-9-22(32)24-25(19)35-26(34)31-24/h1-9,23,29-30,32-33H,10-15H2,(H,31,34)/t23-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50419701
PNG
(CHEMBL1944692)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2F)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H28FN3O3S/c27-21-4-2-1-3-19(21)12-14-28-15-18-7-5-17(6-8-18)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50419700
PNG
(CHEMBL1944689)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2c(Cl)cccc2Cl)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-2-1-3-21(28)18(20)11-13-29-14-17-6-4-16(5-7-17)10-12-30-15-23(33)19-8-9-22(32)24-25(19)35-26(34)31-24/h1-9,23,29-30,32-33H,10-15H2,(H,31,34)/t23-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


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



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


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



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50419699
PNG
(CHEMBL1947156)
Show SMILES O[C@@H](CNCCc1cccc(c1)-c1cccc(CNCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C31H31N3O3S/c35-27-13-12-26(30-29(27)34-31(37)38-30)28(36)20-32-15-14-21-8-4-10-24(16-21)25-11-5-9-23(17-25)19-33-18-22-6-2-1-3-7-22/h1-13,16-17,28,32-33,35-36H,14-15,18-20H2,(H,34,37)/t28-/m0/s1
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n/an/an/an/a 0.631n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


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



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


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



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50419697
PNG
(CHEMBL1947154)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1cccc(CN2Cc3ccccc3C2)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C32H31N3O3S/c36-28-13-12-27(31-30(28)34-32(38)39-31)29(37)17-33-15-14-21-8-10-23(11-9-21)24-7-3-4-22(16-24)18-35-19-25-5-1-2-6-26(25)20-35/h1-13,16,29,33,36-37H,14-15,17-20H2,(H,34,38)/t29-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50419701
PNG
(CHEMBL1944692)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2F)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H28FN3O3S/c27-21-4-2-1-3-19(21)12-14-28-15-18-7-5-17(6-8-18)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1
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n/an/an/an/a 0.398n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50419700
PNG
(CHEMBL1944689)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2c(Cl)cccc2Cl)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-2-1-3-21(28)18(20)11-13-29-14-17-6-4-16(5-7-17)10-12-30-15-23(33)19-8-9-22(32)24-25(19)35-26(34)31-24/h1-9,23,29-30,32-33H,10-15H2,(H,31,34)/t23-/m0/s1
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n/an/an/an/a 0.316n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50419697
PNG
(CHEMBL1947154)
Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1cccc(CN2Cc3ccccc3C2)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C32H31N3O3S/c36-28-13-12-27(31-30(28)34-32(38)39-31)29(37)17-33-15-14-21-8-10-23(11-9-21)24-7-3-4-22(16-24)18-35-19-25-5-1-2-6-26(25)20-35/h1-13,16,29,33,36-37H,14-15,17-20H2,(H,34,38)/t29-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


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

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50419699
PNG
(CHEMBL1947156)
Show SMILES O[C@@H](CNCCc1cccc(c1)-c1cccc(CNCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C31H31N3O3S/c35-27-13-12-26(30-29(27)34-31(37)38-30)28(36)20-32-15-14-21-8-4-10-24(16-21)25-11-5-9-23(17-25)19-33-18-22-6-2-1-3-7-22/h1-13,16-17,28,32-33,35-36H,14-15,18-20H2,(H,34,37)/t28-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


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

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50419701
PNG
(CHEMBL1944692)
Show SMILES O[C@@H](CNCCc1ccc(CNCCc2ccccc2F)cc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C26H28FN3O3S/c27-21-4-2-1-3-19(21)12-14-28-15-18-7-5-17(6-8-18)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D2 receptor expressed in HEK cells by GTPgammaS binding assay


Bioorg Med Chem Lett 22: 689-95 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90
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)
PDB
MMDB

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Article
PubMed
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-1 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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 120n/an/an/an/an/a



Kirin Brewery Co., Ltd.

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity to human Beta-1 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