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Articleid 50029782

Compile data set for download or QSAR
Found 26 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50287800
PNG
(5-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C20H28N2O4S/c1-15(21-12-16(23)14-26-17-7-3-2-4-8-17)11-19-22-13-18(27-19)9-5-6-10-20(24)25/h2-4,7-8,13,15-16,21,23H,5-6,9-12,14H2,1H3,(H,24,25)/t15-,16+/m1/s1
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Article
150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta2 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50287796
PNG
(CHEMBL308150 | ICI-215001 | {4-[2-((S)-2-Hydroxy-3...)
Show SMILES O[C@@H](CNCCOc1ccc(OCC(O)=O)cc1)COc1ccccc1
Show InChI InChI=1S/C19H23NO6/c21-15(13-25-16-4-2-1-3-5-16)12-20-10-11-24-17-6-8-18(9-7-17)26-14-19(22)23/h1-9,15,20-21H,10-14H2,(H,22,23)/t15-/m0/s1
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Article
300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Beta-1 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligan...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287800
PNG
(5-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C20H28N2O4S/c1-15(21-12-16(23)14-26-17-7-3-2-4-8-17)11-19-22-13-18(27-19)9-5-6-10-20(24)25/h2-4,7-8,13,15-16,21,23H,5-6,9-12,14H2,1H3,(H,24,25)/t15-,16+/m1/s1
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390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta3 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50287800
PNG
(5-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C20H28N2O4S/c1-15(21-12-16(23)14-26-17-7-3-2-4-8-17)11-19-22-13-18(27-19)9-5-6-10-20(24)25/h2-4,7-8,13,15-16,21,23H,5-6,9-12,14H2,1H3,(H,24,25)/t15-,16+/m1/s1
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440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Beta-1 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligan...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287796
PNG
(CHEMBL308150 | ICI-215001 | {4-[2-((S)-2-Hydroxy-3...)
Show SMILES O[C@@H](CNCCOc1ccc(OCC(O)=O)cc1)COc1ccccc1
Show InChI InChI=1S/C19H23NO6/c21-15(13-25-16-4-2-1-3-5-16)12-20-10-11-24-17-6-8-18(9-7-17)26-14-19(22)23/h1-9,15,20-21H,10-14H2,(H,22,23)/t15-/m0/s1
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520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to stimulate adenylyl cyclase activity in CHO Beta-3 adrenergic receptor cell membrane.


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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630n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta2 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287799
PNG
(4-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C19H26N2O4S/c1-14(10-18-21-12-17(26-18)8-5-9-19(23)24)20-11-15(22)13-25-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,20,22H,5,8-11,13H2,1H3,(H,23,24)/t14-,15+/m1/s1
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760n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta3 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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960n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta3 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50287795
PNG
(3-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C18H24N2O4S/c1-13(9-17-20-11-16(25-17)7-8-18(22)23)19-10-14(21)12-24-15-5-3-2-4-6-15/h2-6,11,13-14,19,21H,7-10,12H2,1H3,(H,22,23)/t13-,14+/m1/s1
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Article
1.23E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta2 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50287799
PNG
(4-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C19H26N2O4S/c1-14(10-18-21-12-17(26-18)8-5-9-19(23)24)20-11-15(22)13-25-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,20,22H,5,8-11,13H2,1H3,(H,23,24)/t14-,15+/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Beta-1 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligan...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50287799
PNG
(4-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C19H26N2O4S/c1-14(10-18-21-12-17(26-18)8-5-9-19(23)24)20-11-15(22)13-25-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,20,22H,5,8-11,13H2,1H3,(H,23,24)/t14-,15+/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta2 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50287796
PNG
(CHEMBL308150 | ICI-215001 | {4-[2-((S)-2-Hydroxy-3...)
Show SMILES O[C@@H](CNCCOc1ccc(OCC(O)=O)cc1)COc1ccccc1
Show InChI InChI=1S/C19H23NO6/c21-15(13-25-16-4-2-1-3-5-16)12-20-10-11-24-17-6-8-18(9-7-17)26-14-19(22)23/h1-9,15,20-21H,10-14H2,(H,22,23)/t15-/m0/s1
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Article
2.35E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta2 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50287795
PNG
(3-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C18H24N2O4S/c1-13(9-17-20-11-16(25-17)7-8-18(22)23)19-10-14(21)12-24-15-5-3-2-4-6-15/h2-6,11,13-14,19,21H,7-10,12H2,1H3,(H,22,23)/t13-,14+/m1/s1
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3.44E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Beta-1 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligan...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287795
PNG
(3-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C18H24N2O4S/c1-13(9-17-20-11-16(25-17)7-8-18(22)23)19-10-14(21)12-24-15-5-3-2-4-6-15/h2-6,11,13-14,19,21H,7-10,12H2,1H3,(H,22,23)/t13-,14+/m1/s1
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Article
3.53E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta3 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50287798
PNG
(4-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylam...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H23ClN2O3S/c1-12(20-11-16(22)13-4-2-5-14(19)9-13)8-17-21-10-15(25-17)6-3-7-18(23)24/h2,4-5,9-10,12,16,20,22H,3,6-8,11H2,1H3,(H,23,24)/t12-,16?/m1/s1
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6.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Beta-1 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligan...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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1.13E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Beta-1 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligan...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50287797
PNG
(3-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylam...)
Show SMILES C[C@H](Cc1ncc(CCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN2O3S/c1-11(7-16-20-9-14(24-16)5-6-17(22)23)19-10-15(21)12-3-2-4-13(18)8-12/h2-4,8-9,11,15,19,21H,5-7,10H2,1H3,(H,22,23)/t11-,15?/m1/s1
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Article
1.14E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta2 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50287798
PNG
(4-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylam...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H23ClN2O3S/c1-12(20-11-16(22)13-4-2-5-14(19)9-13)8-17-21-10-15(25-17)6-3-7-18(23)24/h2,4-5,9-10,12,16,20,22H,3,6-8,11H2,1H3,(H,23,24)/t12-,16?/m1/s1
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1.39E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta2 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287798
PNG
(4-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylam...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C18H23ClN2O3S/c1-12(20-11-16(22)13-4-2-5-14(19)9-13)8-17-21-10-15(25-17)6-3-7-18(23)24/h2,4-5,9-10,12,16,20,22H,3,6-8,11H2,1H3,(H,23,24)/t12-,16?/m1/s1
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Article
3.65E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta3 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50287797
PNG
(3-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylam...)
Show SMILES C[C@H](Cc1ncc(CCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN2O3S/c1-11(7-16-20-9-14(24-16)5-6-17(22)23)19-10-15(21)12-3-2-4-13(18)8-12/h2-4,8-9,11,15,19,21H,5-7,10H2,1H3,(H,22,23)/t11-,15?/m1/s1
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Article
5.81E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against Beta-1 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligan...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287797
PNG
(3-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylam...)
Show SMILES C[C@H](Cc1ncc(CCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN2O3S/c1-11(7-16-20-9-14(24-16)5-6-17(22)23)19-10-15(21)12-3-2-4-13(18)8-12/h2-4,8-9,11,15,19,21H,5-7,10H2,1H3,(H,22,23)/t11-,15?/m1/s1
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Article
1.46E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta3 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287796
PNG
(CHEMBL308150 | ICI-215001 | {4-[2-((S)-2-Hydroxy-3...)
Show SMILES O[C@@H](CNCCOc1ccc(OCC(O)=O)cc1)COc1ccccc1
Show InChI InChI=1S/C19H23NO6/c21-15(13-25-16-4-2-1-3-5-16)12-20-10-11-24-17-6-8-18(9-7-17)26-14-19(22)23/h1-9,15,20-21H,10-14H2,(H,22,23)/t15-/m0/s1
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Article
n/an/an/an/a 550n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to stimulate adenylyl cyclase activity in CHO-beta-3 adrenergic receptor cell membrane.


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287799
PNG
(4-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C19H26N2O4S/c1-14(10-18-21-12-17(26-18)8-5-9-19(23)24)20-11-15(22)13-25-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,20,22H,5,8-11,13H2,1H3,(H,23,24)/t14-,15+/m1/s1
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n/an/an/an/a 630n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity against beta3 adrenergic receptor in CHO cell membrane using [125I]-iodocyanopindolol as the radioligand...


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287795
PNG
(3-{2-[(R)-2-((S)-2-Hydroxy-3-phenoxy-propylamino)-...)
Show SMILES C[C@H](Cc1ncc(CCC(O)=O)s1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C18H24N2O4S/c1-13(9-17-20-11-16(25-17)7-8-18(22)23)19-10-14(21)12-24-15-5-3-2-4-6-15/h2-6,11,13-14,19,21H,7-10,12H2,1H3,(H,22,23)/t13-,14+/m1/s1
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Article
n/an/an/an/a 2.76E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to stimulate adenylyl cyclase activity in CHO Beta-3 adrenergic receptor cell membrane.


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50287797
PNG
(3-(2-{(R)-2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylam...)
Show SMILES C[C@H](Cc1ncc(CCC(O)=O)s1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN2O3S/c1-11(7-16-20-9-14(24-16)5-6-17(22)23)19-10-15(21)12-3-2-4-13(18)8-12/h2-4,8-9,11,15,19,21H,5-7,10H2,1H3,(H,22,23)/t11-,15?/m1/s1
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Article
n/an/an/an/a 2.76E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to stimulate adenylyl cyclase activity in CHO Beta-3 adrenergic receptor cell membrane.


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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Article
n/an/an/an/a 680n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to stimulate adenylyl cyclase activity in CHO-beta-3 adrenergic receptor cell membrane.


Bioorg Med Chem Lett 6: 2253-2258 (1996)


Article DOI: 10.1016/0960-894X(96)00417-9
BindingDB Entry DOI: 10.7270/Q2RJ4JGC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%