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54 similar compounds to monomer 50419665

Wt: 240.2
BDBM50077647
Wt: 346.4
BDBM50324834
Wt: 381.5
BDBM50324838
Wt: 310.4
BDBM50324839
Wt: 338.4
BDBM50324842
Wt: 330.4
BDBM50324844
Wt: 344.4
BDBM50324846
Wt: 358.4
BDBM50324847
Wt: 358.4
BDBM50324850
Wt: 380.4
BDBM50324851
Wt: 380.4
BDBM50324852
Wt: 322.4
BDBM50324853
Wt: 362.4
BDBM50324856
Wt: 362.4
BDBM50324857
Wt: 503.6
BDBM50419696
Displayed 1 to 15 (of 54 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50077647,50324834,50324838,50324839,50324842,50324844,50324846,50324847,50324850,50324851,50324852,50324853,50324856,50324857,50419696   
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
Adrenergic beta-2 receptor (beta2)


(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)

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


(Homo sapiens (Human))
BDBM50324856
PNG
(7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1
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0.600n/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)

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


(Homo sapiens (Human))
BDBM50324857
PNG
(7-((R)-2-((trans)-bi(cyclopentan)-2-ylamino)-1-hyd...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14+,16-/m0/s1
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0.800n/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)

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


(Homo sapiens (Human))
BDBM50324856
PNG
(7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)

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


(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)

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)

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


(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)

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


(Homo sapiens (Human))
BDBM50324850
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(4-phenylbutylamino)e...)
Show SMILES O[C@@H](CNCCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H22N2O3S/c22-15-10-9-14(18-17(15)21-19(24)25-18)16(23)12-20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,16,20,22-23H,4-5,8,11-12H2,(H,21,24)/t16-/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)

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)

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


(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)

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)

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


(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)

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)

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


(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)

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


(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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324857
PNG
(7-((R)-2-((trans)-bi(cyclopentan)-2-ylamino)-1-hyd...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14+,16-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


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


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

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)

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


(Homo sapiens (Human))
BDBM50324853
PNG
((R)-7-(2-(cycloheptylamino)-1-hydroxyethyl)-4-hydr...)
Show SMILES O[C@@H](CNC1CCCCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C16H22N2O3S/c19-12-8-7-11(15-14(12)18-16(21)22-15)13(20)9-17-10-5-3-1-2-4-6-10/h7-8,10,13,17,19-20H,1-6,9H2,(H,18,21)/t13-/m0/s1
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12n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324850
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(4-phenylbutylamino)e...)
Show SMILES O[C@@H](CNCCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H22N2O3S/c22-15-10-9-14(18-17(15)21-19(24)25-18)16(23)12-20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,16,20,22-23H,4-5,8,11-12H2,(H,21,24)/t16-/m0/s1
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15n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324856
PNG
(7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1
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17n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay


Bioorg Med Chem Lett 24: 4341-7 (2014)

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)

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


(Homo sapiens (Human))
BDBM50324838
PNG
((R)-7-(2-(2-(dibutylamino)ethylamino)-1-hydroxyeth...)
Show SMILES CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H31N3O3S/c1-3-5-10-22(11-6-4-2)12-9-20-13-16(24)14-7-8-15(23)17-18(14)26-19(25)21-17/h7-8,16,20,23-24H,3-6,9-13H2,1-2H3,(H,21,25)/t16-/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 beta2 adrenoceptor


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

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324856
PNG
(7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/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)

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


(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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324838
PNG
((R)-7-(2-(2-(dibutylamino)ethylamino)-1-hydroxyeth...)
Show SMILES CCCCN(CCCC)CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H31N3O3S/c1-3-5-10-22(11-6-4-2)12-9-20-13-16(24)14-7-8-15(23)17-18(14)26-19(25)21-17/h7-8,16,20,23-24H,3-6,9-13H2,1-2H3,(H,21,25)/t16-/m0/s1
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31n/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)

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)

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


(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)

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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324853
PNG
((R)-7-(2-(cycloheptylamino)-1-hydroxyethyl)-4-hydr...)
Show SMILES O[C@@H](CNC1CCCCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C16H22N2O3S/c19-12-8-7-11(15-14(12)18-16(21)22-15)13(20)9-17-10-5-3-1-2-4-6-10/h7-8,10,13,17,19-20H,1-6,9H2,(H,18,21)/t13-/m0/s1
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79n/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)

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)

More data for this
Ligand-Target Pair
Dopamine receptors; D3 & D4


(Homo sapiens (Human))
BDBM50324856
PNG
(7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1
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842n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]7-HO-PIPAT from human D3R expressed in HEK cells


Bioorg Med Chem Lett 24: 4341-7 (2014)

More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50324856
PNG
(7-((R)-2-((cis)-bi(cyclopentan)-2-ylamino)-1-hydro...)
Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1C1CCCC1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C19H26N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-6-12(14)11-4-1-2-5-11/h8-9,11-12,14,16,20,22-23H,1-7,10H2,(H,21,24)/t12-,14-,16+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Agonist activity at adrenergic beta2 receptor in electrically-stimulated Dunkin-Hartley guinea pig tracheal strip assessed as inhibition of contracti...


Bioorg Med Chem Lett 24: 4341-7 (2014)

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


(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)

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


(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/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)

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


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



Kirin Brewery Co., Ltd.

Curated by ChEMBL


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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair