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PubMed code 10762040

Compile data set for download or QSAR
Found 22 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
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50087151
PNG
(1N-{10-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C50H68N6O4/c57-43-19-17-31-29-55-25-21-35-33-13-7-9-15-39(33)53-47(35)41(55)27-37(31)45(43)49(59)51-23-11-5-3-1-2-4-6-12-24-52-50(60)46-38-28-42-48-36(34-14-8-10-16-40(34)54-48)22-26-56(42)30-32(38)18-20-44(46)58/h7-10,13-16,31-32,37-38,41-46,53-54,57-58H,1-6,11-12,17-30H2,(H,51,59)(H,52,60)/t31-,32-,37-,38-,41-,42-,43-,44-,45+,46+/m0/s1
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 0.390n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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 0.420n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50087149
PNG
(1N-{8-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C48H64N6O4/c55-41-17-15-29-27-53-23-19-33-31-11-5-7-13-37(31)51-45(33)39(53)25-35(29)43(41)47(57)49-21-9-3-1-2-4-10-22-50-48(58)44-36-26-40-46-34(32-12-6-8-14-38(32)52-46)20-24-54(40)28-30(36)16-18-42(44)56/h5-8,11-14,29-30,35-36,39-44,51-52,55-56H,1-4,9-10,15-28H2,(H,49,57)(H,50,58)/t29-,30-,35-,36-,39-,40-,41-,42-,43+,44+/m0/s1
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 0.760n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50087152
PNG
(1N-{7-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C47H62N6O4/c54-40-16-14-28-26-52-22-18-32-30-10-4-6-12-36(30)50-44(32)38(52)24-34(28)42(40)46(56)48-20-8-2-1-3-9-21-49-47(57)43-35-25-39-45-33(31-11-5-7-13-37(31)51-45)19-23-53(39)27-29(35)15-17-41(43)55/h4-7,10-13,28-29,34-35,38-43,50-51,54-55H,1-3,8-9,14-27H2,(H,48,56)(H,49,57)/t28-,29-,34-,35-,38-,39-,40-,41-,42+,43+/m0/s1
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 0.870n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50087145
PNG
(1N-{12-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C52H72N6O4/c59-45-21-19-33-31-57-27-23-37-35-15-9-11-17-41(35)55-49(37)43(57)29-39(33)47(45)51(61)53-25-13-7-5-3-1-2-4-6-8-14-26-54-52(62)48-40-30-44-50-38(36-16-10-12-18-42(36)56-50)24-28-58(44)32-34(40)20-22-46(48)60/h9-12,15-18,33-34,39-40,43-48,55-56,59-60H,1-8,13-14,19-32H2,(H,53,61)(H,54,62)/t33-,34-,39-,40-,43-,44-,45-,46-,47+,48+/m0/s1
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 1.20n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50087148
PNG
(1N-{9-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C49H66N6O4/c56-42-18-16-30-28-54-24-20-34-32-12-6-8-14-38(32)52-46(34)40(54)26-36(30)44(42)48(58)50-22-10-4-2-1-3-5-11-23-51-49(59)45-37-27-41-47-35(33-13-7-9-15-39(33)53-47)21-25-55(41)29-31(37)17-19-43(45)57/h6-9,12-15,30-31,36-37,40-45,52-53,56-57H,1-5,10-11,16-29H2,(H,50,58)(H,51,59)/t30-,31-,36-,37-,40-,41-,42-,43-,44+,45+/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50087147
PNG
(1N-{6-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C46H60N6O4/c53-39-15-13-27-25-51-21-17-31-29-9-3-5-11-35(29)49-43(31)37(51)23-33(27)41(39)45(55)47-19-7-1-2-8-20-48-46(56)42-34-24-38-44-32(30-10-4-6-12-36(30)50-44)18-22-52(38)26-28(34)14-16-40(42)54/h3-6,9-12,27-28,33-34,37-42,49-50,53-54H,1-2,7-8,13-26H2,(H,47,55)(H,48,56)/t27-,28-,33-,34-,37-,38-,39-,40-,41+,42+/m0/s1
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 1.40n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50087154
PNG
(1N-{5-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C45H58N6O4/c52-38-14-12-26-24-50-20-16-30-28-8-2-4-10-34(28)48-42(30)36(50)22-32(26)40(38)44(54)46-18-6-1-7-19-47-45(55)41-33-23-37-43-31(29-9-3-5-11-35(29)49-43)17-21-51(37)25-27(33)13-15-39(41)53/h2-5,8-11,26-27,32-33,36-41,48-49,52-53H,1,6-7,12-25H2,(H,46,54)(H,47,55)/t26-,27-,32-,33-,36-,37-,38-,39-,40+,41+/m0/s1
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 1.70n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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 2n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50087146
PNG
(1N-{4-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C44H56N6O4/c51-37-13-11-25-23-49-19-15-29-27-7-1-3-9-33(27)47-41(29)35(49)21-31(25)39(37)43(53)45-17-5-6-18-46-44(54)40-32-22-36-42-30(28-8-2-4-10-34(28)48-42)16-20-50(36)24-26(32)12-14-38(40)52/h1-4,7-10,25-26,31-32,35-40,47-48,51-52H,5-6,11-24H2,(H,45,53)(H,46,54)/t25-,26-,31-,32-,35-,36-,37-,38-,39+,40+/m0/s1
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 15n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50087151
PNG
(1N-{10-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C50H68N6O4/c57-43-19-17-31-29-55-25-21-35-33-13-7-9-15-39(33)53-47(35)41(55)27-37(31)45(43)49(59)51-23-11-5-3-1-2-4-6-12-24-52-50(60)46-38-28-42-48-36(34-14-8-10-16-40(34)54-48)22-26-56(42)30-32(38)18-20-44(46)58/h7-10,13-16,31-32,37-38,41-46,53-54,57-58H,1-6,11-12,17-30H2,(H,51,59)(H,52,60)/t31-,32-,37-,38-,41-,42-,43-,44-,45+,46+/m0/s1
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 19n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50087145
PNG
(1N-{12-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C52H72N6O4/c59-45-21-19-33-31-57-27-23-37-35-15-9-11-17-41(35)55-49(37)43(57)29-39(33)47(45)51(61)53-25-13-7-5-3-1-2-4-6-8-14-26-54-52(62)48-40-30-44-50-38(36-16-10-12-18-42(36)56-50)24-28-58(44)32-34(40)20-22-46(48)60/h9-12,15-18,33-34,39-40,43-48,55-56,59-60H,1-8,13-14,19-32H2,(H,53,61)(H,54,62)/t33-,34-,39-,40-,43-,44-,45-,46-,47+,48+/m0/s1
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 19n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50087153
PNG
(1N-{2-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C42H52N6O4/c49-35-11-9-23-21-47-17-13-27-25-5-1-3-7-31(25)45-39(27)33(47)19-29(23)37(35)41(51)43-15-16-44-42(52)38-30-20-34-40-28(26-6-2-4-8-32(26)46-40)14-18-48(34)22-24(30)10-12-36(38)50/h1-8,23-24,29-30,33-38,45-46,49-50H,9-22H2,(H,43,51)(H,44,52)/t23-,24-,29-,30-,33-,34-,35-,36-,37+,38+/m0/s1
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 26n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50087152
PNG
(1N-{7-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C47H62N6O4/c54-40-16-14-28-26-52-22-18-32-30-10-4-6-12-36(30)50-44(32)38(52)24-34(28)42(40)46(56)48-20-8-2-1-3-9-21-49-47(57)43-35-25-39-45-33(31-11-5-7-13-37(31)51-45)19-23-53(39)27-29(35)15-17-41(43)55/h4-7,10-13,28-29,34-35,38-43,50-51,54-55H,1-3,8-9,14-27H2,(H,48,56)(H,49,57)/t28-,29-,34-,35-,38-,39-,40-,41-,42+,43+/m0/s1
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 28n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50087148
PNG
(1N-{9-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C49H66N6O4/c56-42-18-16-30-28-54-24-20-34-32-12-6-8-14-38(32)52-46(34)40(54)26-36(30)44(42)48(58)50-22-10-4-2-1-3-5-11-23-51-49(59)45-37-27-41-47-35(33-13-7-9-15-39(33)53-47)21-25-55(41)29-31(37)17-19-43(45)57/h6-9,12-15,30-31,36-37,40-45,52-53,56-57H,1-5,10-11,16-29H2,(H,50,58)(H,51,59)/t30-,31-,36-,37-,40-,41-,42-,43-,44+,45+/m0/s1
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 45n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50087149
PNG
(1N-{8-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C48H64N6O4/c55-41-17-15-29-27-53-23-19-33-31-11-5-7-13-37(31)51-45(33)39(53)25-35(29)43(41)47(57)49-21-9-3-1-2-4-10-22-50-48(58)44-36-26-40-46-34(32-12-6-8-14-38(32)52-46)20-24-54(40)28-30(36)16-18-42(44)56/h5-8,11-14,29-30,35-36,39-44,51-52,55-56H,1-4,9-10,15-28H2,(H,49,57)(H,50,58)/t29-,30-,35-,36-,39-,40-,41-,42-,43+,44+/m0/s1
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 46n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50087150
PNG
(1N-{3-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C43H54N6O4/c50-36-12-10-24-22-48-18-14-28-26-6-1-3-8-32(26)46-40(28)34(48)20-30(24)38(36)42(52)44-16-5-17-45-43(53)39-31-21-35-41-29(27-7-2-4-9-33(27)47-41)15-19-49(35)23-25(31)11-13-37(39)51/h1-4,6-9,24-25,30-31,34-39,46-47,50-51H,5,10-23H2,(H,44,52)(H,45,53)/t24-,25-,30-,31-,34-,35-,36-,37-,38+,39+/m0/s1
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 52n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-2A adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50087154
PNG
(1N-{5-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C45H58N6O4/c52-38-14-12-26-24-50-20-16-30-28-8-2-4-10-34(28)48-42(30)36(50)22-32(26)40(38)44(54)46-18-6-1-7-19-47-45(55)41-33-23-37-43-31(29-9-3-5-11-35(29)49-43)17-21-51(37)25-27(33)13-15-39(41)53/h2-5,8-11,26-27,32-33,36-41,48-49,52-53H,1,6-7,12-25H2,(H,46,54)(H,47,55)/t26-,27-,32-,33-,36-,37-,38-,39-,40+,41+/m0/s1
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 134n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50087147
PNG
(1N-{6-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C46H60N6O4/c53-39-15-13-27-25-51-21-17-31-29-9-3-5-11-35(29)49-43(31)37(51)23-33(27)41(39)45(55)47-19-7-1-2-8-20-48-46(56)42-34-24-38-44-32(30-10-4-6-12-36(30)50-44)18-22-52(38)26-28(34)14-16-40(42)54/h3-6,9-12,27-28,33-34,37-42,49-50,53-54H,1-2,7-8,13-26H2,(H,47,55)(H,48,56)/t27-,28-,33-,34-,37-,38-,39-,40-,41+,42+/m0/s1
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 166n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50087146
PNG
(1N-{4-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C44H56N6O4/c51-37-13-11-25-23-49-19-15-29-27-7-1-3-9-33(27)47-41(29)35(49)21-31(25)39(37)43(53)45-17-5-6-18-46-44(54)40-32-22-36-42-30(28-8-2-4-10-34(28)48-42)16-20-50(36)24-26(32)12-14-38(40)52/h1-4,7-10,25-26,31-32,35-40,47-48,51-52H,5-6,11-24H2,(H,45,53)(H,46,54)/t25-,26-,31-,32-,35-,36-,37-,38-,39+,40+/m0/s1
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 189n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50087150
PNG
(1N-{3-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C43H54N6O4/c50-36-12-10-24-22-48-18-14-28-26-6-1-3-8-32(26)46-40(28)34(48)20-30(24)38(36)42(52)44-16-5-17-45-43(53)39-31-21-35-41-29(27-7-2-4-9-33(27)47-41)15-19-49(35)23-25(31)11-13-37(39)51/h1-4,6-9,24-25,30-31,34-39,46-47,50-51H,5,10-23H2,(H,44,52)(H,45,53)/t24-,25-,30-,31-,34-,35-,36-,37-,38+,39+/m0/s1
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 990n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50087153
PNG
(1N-{2-[2-hydroxy-(1R,2S,4aR,13bS,14aS)-1,2,3,4,4a,...)
Show SMILES O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C42H52N6O4/c49-35-11-9-23-21-47-17-13-27-25-5-1-3-7-31(25)45-39(27)33(47)19-29(23)37(35)41(51)43-15-16-44-42(52)38-30-20-34-40-28(26-6-2-4-8-32(26)46-40)14-18-48(34)22-24(30)10-12-36(38)50/h1-8,23-24,29-30,33-38,45-46,49-50H,9-22H2,(H,43,51)(H,44,52)/t23-,24-,29-,30-,33-,34-,35-,36-,37+,38+/m0/s1
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 1.51E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand

Bioorg Med Chem Lett 10: 627-30 (2000)


BindingDB Entry DOI: 10.7270/Q2WM1DXB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%