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Patent code US10925840

Compile Data Set for Download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM483477
PNG
(US10925840, Compound (R-R)-5)
Show SMILES C[C@@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C22H24O3/c1-15(9-10-22(25)18-12-19(23)14-20(24)13-18)11-17-7-4-6-16-5-2-3-8-21(16)17/h2-8,12-15,22-25H,9-11H2,1H3/t15-,22-/m0/s1
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US Patent
2.41E+5n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483478
PNG
(US10925840, Compound (R-S)-5)
Show SMILES C[C@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C22H24O3/c1-15(9-10-22(25)18-12-19(23)14-20(24)13-18)11-17-7-4-6-16-5-2-3-8-21(16)17/h2-8,12-15,22-25H,9-11H2,1H3/t15-,22+/m1/s1
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3.41E+5n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483461
PNG
(US10925840, Compound (R,R)-1)
Show SMILES C[C@@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccc(O)cc1
Show InChI InChI=1S/C18H22O4/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18-22H,2,7-8H2,1H3/t12-,18-/m0/s1
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3.45E+5n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483465
PNG
(US10925840, Compound (R,R)-2)
Show SMILES COc1ccc(C[C@@H](C)CC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C19H24O4/c1-13(9-14-4-6-18(23-2)7-5-14)3-8-19(22)15-10-16(20)12-17(21)11-15/h4-7,10-13,19-22H,3,8-9H2,1-2H3/t13-,19-/m0/s1
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4.74E+5n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483479
PNG
(US10925840, Compound (S-R)-5)
Show SMILES C[C@@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C22H24O3/c1-15(9-10-22(25)18-12-19(23)14-20(24)13-18)11-17-7-4-6-16-5-2-3-8-21(16)17/h2-8,12-15,22-25H,9-11H2,1H3/t15-,22+/m0/s1
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1.78E+6n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483473
PNG
(US10925840, Compound (R,R)-4)
Show SMILES C[C@@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccccc1
Show InChI InChI=1S/C18H22O3/c1-13(9-14-5-3-2-4-6-14)7-8-18(21)15-10-16(19)12-17(20)11-15/h2-6,10-13,18-21H,7-9H2,1H3/t13-,18-/m0/s1
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1.86E+6n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483466
PNG
(US10925840, Compound (R-S)-2)
Show SMILES COc1ccc(C[C@H](C)CC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C19H24O4/c1-13(9-14-4-6-18(23-2)7-5-14)3-8-19(22)15-10-16(20)12-17(21)11-15/h4-7,10-13,19-22H,3,8-9H2,1-2H3/t13-,19+/m1/s1
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1.93E+6n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483480
PNG
(US10925840, Compound (S-S)-5)
Show SMILES C[C@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C22H24O3/c1-15(9-10-22(25)18-12-19(23)14-20(24)13-18)11-17-7-4-6-16-5-2-3-8-21(16)17/h2-8,12-15,22-25H,9-11H2,1H3/t15-,22-/m1/s1
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2.54E+6n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483469
PNG
(US10925840, Compound (R,R)-3)
Show SMILES C[C@@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccc(N)cc1
Show InChI InChI=1S/C18H23NO3/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18,20-22H,2,7-8,19H2,1H3/t12-,18-/m0/s1
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2.93E+6n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483477
PNG
(US10925840, Compound (R-R)-5)
Show SMILES C[C@@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C22H24O3/c1-15(9-10-22(25)18-12-19(23)14-20(24)13-18)11-17-7-4-6-16-5-2-3-8-21(16)17/h2-8,12-15,22-25H,9-11H2,1H3/t15-,22-/m0/s1
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3.35E+6n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483462
PNG
(US10925840, Compound (R,S)-1)
Show SMILES C[C@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccc(O)cc1
Show InChI InChI=1S/C18H22O4/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18-22H,2,7-8H2,1H3/t12-,18+/m1/s1
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3.70E+6n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483467
PNG
(US10925840, Compound (S,R)-2)
Show SMILES COc1ccc(C[C@@H](C)CC[C@@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C19H24O4/c1-13(9-14-4-6-18(23-2)7-5-14)3-8-19(22)15-10-16(20)12-17(21)11-15/h4-7,10-13,19-22H,3,8-9H2,1-2H3/t13-,19+/m0/s1
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5.27E+6n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483474
PNG
(US10925840, Compound (R,S)-4)
Show SMILES C[C@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccccc1
Show InChI InChI=1S/C18H22O3/c1-13(9-14-5-3-2-4-6-14)7-8-18(21)15-10-16(19)12-17(20)11-15/h2-6,10-13,18-21H,7-9H2,1H3/t13-,18+/m1/s1
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6.04E+6n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483470
PNG
(US10925840, Compound (R,S)-3)
Show SMILES C[C@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccc(N)cc1
Show InChI InChI=1S/C18H23NO3/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18,20-22H,2,7-8,19H2,1H3/t12-,18+/m1/s1
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7.94E+6n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483481
PNG
(US10925840, Compound (R-R)-6)
Show SMILES CCCCCC[C@@H](C)CC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H28O3/c1-3-4-5-6-7-13(2)8-9-17(20)14-10-15(18)12-16(19)11-14/h10-13,17-20H,3-9H2,1-2H3/t13-,17+/m1/s1
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9.28E+6n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483481
PNG
(US10925840, Compound (R-R)-6)
Show SMILES CCCCCC[C@@H](C)CC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H28O3/c1-3-4-5-6-7-13(2)8-9-17(20)14-10-15(18)12-16(19)11-14/h10-13,17-20H,3-9H2,1-2H3/t13-,17+/m1/s1
PDB

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1.02E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483463
PNG
(US10925840, Compound (S,R)-1)
Show SMILES C[C@@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccc(O)cc1
Show InChI InChI=1S/C18H22O4/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18-22H,2,7-8H2,1H3/t12-,18+/m0/s1
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1.03E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM50213119
PNG
((R)-(-)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...)
Show SMILES O[C@@H](CNCCc1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m0/s1
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Similars

US Patent
1.05E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483461
PNG
(US10925840, Compound (R,R)-1)
Show SMILES C[C@@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccc(O)cc1
Show InChI InChI=1S/C18H22O4/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18-22H,2,7-8H2,1H3/t12-,18-/m0/s1
PDB

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1.48E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483478
PNG
(US10925840, Compound (R-S)-5)
Show SMILES C[C@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C22H24O3/c1-15(9-10-22(25)18-12-19(23)14-20(24)13-18)11-17-7-4-6-16-5-2-3-8-21(16)17/h2-8,12-15,22-25H,9-11H2,1H3/t15-,22+/m1/s1
PDB

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1.58E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483468
PNG
(US10925840, Compound (S,S)-2)
Show SMILES COc1ccc(C[C@H](C)CC[C@@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C19H24O4/c1-13(9-14-4-6-18(23-2)7-5-14)3-8-19(22)15-10-16(20)12-17(21)11-15/h4-7,10-13,19-22H,3,8-9H2,1-2H3/t13-,19-/m1/s1
PDB
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1.59E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483473
PNG
(US10925840, Compound (R,R)-4)
Show SMILES C[C@@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccccc1
Show InChI InChI=1S/C18H22O3/c1-13(9-14-5-3-2-4-6-14)7-8-18(21)15-10-16(19)12-17(20)11-15/h2-6,10-13,18-21H,7-9H2,1H3/t13-,18-/m0/s1
PDB

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1.72E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483462
PNG
(US10925840, Compound (R,S)-1)
Show SMILES C[C@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccc(O)cc1
Show InChI InChI=1S/C18H22O4/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18-22H,2,7-8H2,1H3/t12-,18+/m1/s1
PDB

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1.89E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM50213121
PNG
((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...)
Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/s1
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2.06E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483465
PNG
(US10925840, Compound (R,R)-2)
Show SMILES COc1ccc(C[C@@H](C)CC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C19H24O4/c1-13(9-14-4-6-18(23-2)7-5-14)3-8-19(22)15-10-16(20)12-17(21)11-15/h4-7,10-13,19-22H,3,8-9H2,1-2H3/t13-,19-/m0/s1
PDB

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2.20E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483471
PNG
(US10925840, Compound (S,R)-3)
Show SMILES C[C@@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccc(N)cc1
Show InChI InChI=1S/C18H23NO3/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18,20-22H,2,7-8,19H2,1H3/t12-,18+/m0/s1
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2.31E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483469
PNG
(US10925840, Compound (R,R)-3)
Show SMILES C[C@@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccc(N)cc1
Show InChI InChI=1S/C18H23NO3/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18,20-22H,2,7-8,19H2,1H3/t12-,18-/m0/s1
PDB

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2.50E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483464
PNG
(US10925840, Compound (S,S)-1)
Show SMILES C[C@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccc(O)cc1
Show InChI InChI=1S/C18H22O4/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18-22H,2,7-8H2,1H3/t12-,18-/m1/s1
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2.77E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483472
PNG
(US10925840, Compound (S,S)-3)
Show SMILES C[C@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccc(N)cc1
Show InChI InChI=1S/C18H23NO3/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18,20-22H,2,7-8,19H2,1H3/t12-,18-/m1/s1
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2.86E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483476
PNG
(US10925840, Compound (S,S)-4)
Show SMILES C[C@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccccc1
Show InChI InChI=1S/C18H22O3/c1-13(9-14-5-3-2-4-6-14)7-8-18(21)15-10-16(19)12-17(20)11-15/h2-6,10-13,18-21H,7-9H2,1H3/t13-,18-/m1/s1
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2.87E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483466
PNG
(US10925840, Compound (R-S)-2)
Show SMILES COc1ccc(C[C@H](C)CC[C@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C19H24O4/c1-13(9-14-4-6-18(23-2)7-5-14)3-8-19(22)15-10-16(20)12-17(21)11-15/h4-7,10-13,19-22H,3,8-9H2,1-2H3/t13-,19+/m1/s1
PDB

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3.07E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483475
PNG
(US10925840, Compound (S,R)-4)
Show SMILES C[C@@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccccc1
Show InChI InChI=1S/C18H22O3/c1-13(9-14-5-3-2-4-6-14)7-8-18(21)15-10-16(19)12-17(20)11-15/h2-6,10-13,18-21H,7-9H2,1H3/t13-,18+/m0/s1
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3.08E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483470
PNG
(US10925840, Compound (R,S)-3)
Show SMILES C[C@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccc(N)cc1
Show InChI InChI=1S/C18H23NO3/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18,20-22H,2,7-8,19H2,1H3/t12-,18+/m1/s1
PDB

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3.13E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483482
PNG
(US10925840, Compound (R-S)-6)
Show SMILES CCCCCC[C@H](C)CC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H28O3/c1-3-4-5-6-7-13(2)8-9-17(20)14-10-15(18)12-16(19)11-14/h10-13,17-20H,3-9H2,1-2H3/t13-,17-/m0/s1
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3.14E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483472
PNG
(US10925840, Compound (S,S)-3)
Show SMILES C[C@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccc(N)cc1
Show InChI InChI=1S/C18H23NO3/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18,20-22H,2,7-8,19H2,1H3/t12-,18-/m1/s1
PDB

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3.14E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483474
PNG
(US10925840, Compound (R,S)-4)
Show SMILES C[C@H](CC[C@H](O)c1cc(O)cc(O)c1)Cc1ccccc1
Show InChI InChI=1S/C18H22O3/c1-13(9-14-5-3-2-4-6-14)7-8-18(21)15-10-16(19)12-17(20)11-15/h2-6,10-13,18-21H,7-9H2,1H3/t13-,18+/m1/s1
PDB

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3.30E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483467
PNG
(US10925840, Compound (S,R)-2)
Show SMILES COc1ccc(C[C@@H](C)CC[C@@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C19H24O4/c1-13(9-14-4-6-18(23-2)7-5-14)3-8-19(22)15-10-16(20)12-17(21)11-15/h4-7,10-13,19-22H,3,8-9H2,1-2H3/t13-,19+/m0/s1
PDB

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3.34E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483479
PNG
(US10925840, Compound (S-R)-5)
Show SMILES C[C@@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C22H24O3/c1-15(9-10-22(25)18-12-19(23)14-20(24)13-18)11-17-7-4-6-16-5-2-3-8-21(16)17/h2-8,12-15,22-25H,9-11H2,1H3/t15-,22+/m0/s1
PDB

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3.47E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM50213119
PNG
((R)-(-)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...)
Show SMILES O[C@@H](CNCCc1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m0/s1
PDB

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4.25E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM50213121
PNG
((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...)
Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1
Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/s1
PDB

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5.22E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483484
PNG
(US10925840, Compound (S-S)-6)
Show SMILES CCCCCC[C@H](C)CC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H28O3/c1-3-4-5-6-7-13(2)8-9-17(20)14-10-15(18)12-16(19)11-14/h10-13,17-20H,3-9H2,1-2H3/t13-,17+/m0/s1
PDB

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5.26E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483484
PNG
(US10925840, Compound (S-S)-6)
Show SMILES CCCCCC[C@H](C)CC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H28O3/c1-3-4-5-6-7-13(2)8-9-17(20)14-10-15(18)12-16(19)11-14/h10-13,17-20H,3-9H2,1-2H3/t13-,17+/m0/s1
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5.64E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483483
PNG
(US10925840, Compound (S-R)-6)
Show SMILES CCCCCC[C@@H](C)CC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H28O3/c1-3-4-5-6-7-13(2)8-9-17(20)14-10-15(18)12-16(19)11-14/h10-13,17-20H,3-9H2,1-2H3/t13-,17-/m1/s1
PDB

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6.13E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483471
PNG
(US10925840, Compound (S,R)-3)
Show SMILES C[C@@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccc(N)cc1
Show InChI InChI=1S/C18H23NO3/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18,20-22H,2,7-8,19H2,1H3/t12-,18+/m0/s1
PDB

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7.75E+7n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483483
PNG
(US10925840, Compound (S-R)-6)
Show SMILES CCCCCC[C@@H](C)CC[C@@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H28O3/c1-3-4-5-6-7-13(2)8-9-17(20)14-10-15(18)12-16(19)11-14/h10-13,17-20H,3-9H2,1-2H3/t13-,17-/m1/s1
PDB
MMDB

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>1.00E+8n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483482
PNG
(US10925840, Compound (R-S)-6)
Show SMILES CCCCCC[C@H](C)CC[C@H](O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C17H28O3/c1-3-4-5-6-7-13(2)8-9-17(20)14-10-15(18)12-16(19)11-14/h10-13,17-20H,3-9H2,1-2H3/t13-,17-/m0/s1
PDB

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>1.00E+8n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483476
PNG
(US10925840, Compound (S,S)-4)
Show SMILES C[C@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccccc1
Show InChI InChI=1S/C18H22O3/c1-13(9-14-5-3-2-4-6-14)7-8-18(21)15-10-16(19)12-17(20)11-15/h2-6,10-13,18-21H,7-9H2,1H3/t13-,18-/m1/s1
PDB

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>1.00E+8n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483468
PNG
(US10925840, Compound (S,S)-2)
Show SMILES COc1ccc(C[C@H](C)CC[C@@H](O)c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C19H24O4/c1-13(9-14-4-6-18(23-2)7-5-14)3-8-19(22)15-10-16(20)12-17(21)11-15/h4-7,10-13,19-22H,3,8-9H2,1-2H3/t13-,19-/m1/s1
PDB

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>1.00E+8n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483480
PNG
(US10925840, Compound (S-S)-5)
Show SMILES C[C@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1cccc2ccccc12
Show InChI InChI=1S/C22H24O3/c1-15(9-10-22(25)18-12-19(23)14-20(24)13-18)11-17-7-4-6-16-5-2-3-8-21(16)17/h2-8,12-15,22-25H,9-11H2,1H3/t15-,22-/m1/s1
PDB

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>1.00E+8n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483463
PNG
(US10925840, Compound (S,R)-1)
Show SMILES C[C@@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccc(O)cc1
Show InChI InChI=1S/C18H22O4/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18-22H,2,7-8H2,1H3/t12-,18+/m0/s1
PDB

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>1.00E+8n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483475
PNG
(US10925840, Compound (S,R)-4)
Show SMILES C[C@@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccccc1
Show InChI InChI=1S/C18H22O3/c1-13(9-14-5-3-2-4-6-14)7-8-18(21)15-10-16(19)12-17(20)11-15/h2-6,10-13,18-21H,7-9H2,1H3/t13-,18+/m0/s1
PDB

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>1.00E+8n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

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


(Homo sapiens (Human))
BDBM483464
PNG
(US10925840, Compound (S,S)-1)
Show SMILES C[C@H](CC[C@@H](O)c1cc(O)cc(O)c1)Cc1ccc(O)cc1
Show InChI InChI=1S/C18H22O4/c1-12(8-13-3-5-15(19)6-4-13)2-7-18(22)14-9-16(20)11-17(21)10-14/h3-6,9-12,18-22H,2,7-8H2,1H3/t12-,18-/m1/s1
PDB

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>1.00E+8n/an/an/an/an/an/an/an/a



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

US Patent


Assay Description
Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...


US Patent US10925840 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%