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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50003574   
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))
BDBM50473230
PNG
(CHEMBL47313)
Show SMILES C(Cc1ccccc1)[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:17|
Show InChI InChI=1S/C17H24N2O/c1-2-6-14(7-3-1)10-11-15-8-4-5-9-16(15)19-17-18-12-13-20-17/h1-3,6-7,15-16H,4-5,8-13H2,(H,18,19)/t15-,16+/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2A adrenergic receptor expressed in LM(tk-) cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473228
PNG
(AGN-190837 | CHEMBL297752)
Show SMILES CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:11|
Show InChI InChI=1S/C12H22N2O/c1-2-5-10-6-3-4-7-11(10)14-12-13-8-9-15-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11-/m0/s1
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3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2A adrenergic receptor expressed in LM(tk-) cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50473228
PNG
(AGN-190837 | CHEMBL297752)
Show SMILES CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:11|
Show InChI InChI=1S/C12H22N2O/c1-2-5-10-6-3-4-7-11(10)14-12-13-8-9-15-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11-/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2B adrenergic receptor expressed in Y-1 cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50473230
PNG
(CHEMBL47313)
Show SMILES C(Cc1ccccc1)[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:17|
Show InChI InChI=1S/C17H24N2O/c1-2-6-14(7-3-1)10-11-15-8-4-5-9-16(15)19-17-18-12-13-20-17/h1-3,6-7,15-16H,4-5,8-13H2,(H,18,19)/t15-,16+/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2B adrenergic receptor expressed in Y-1 cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473230
PNG
(CHEMBL47313)
Show SMILES C(Cc1ccccc1)[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:17|
Show InChI InChI=1S/C17H24N2O/c1-2-6-14(7-3-1)10-11-15-8-4-5-9-16(15)19-17-18-12-13-20-17/h1-3,6-7,15-16H,4-5,8-13H2,(H,18,19)/t15-,16+/m1/s1
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11n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant, using [3H]rauwolscine in LM(tk-) cells stably transfected with cloned human Alpha-2C adrenergic receptor


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473229
PNG
(CHEMBL295186)
Show SMILES C([C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)c1ccccc1 |t:11,THB:8:7:6:3.4|
Show InChI InChI=1S/C17H22N2O/c1-2-4-12(5-3-1)10-15-13-6-7-14(11-13)16(15)19-17-18-8-9-20-17/h1-5,13-16H,6-11H2,(H,18,19)/t13?,14?,15-,16+/m0/s1
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14n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2A adrenergic receptor expressed in LM(tk-) cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473227
PNG
(CHEMBL50720)
Show SMILES C(C[C@H]1CCCC[C@@H]1NC1=NCCO1)Cc1ccccc1 |t:10|
Show InChI InChI=1S/C18H26N2O/c1-2-7-15(8-3-1)9-6-11-16-10-4-5-12-17(16)20-18-19-13-14-21-18/h1-3,7-8,16-17H,4-6,9-14H2,(H,19,20)/t16-,17+/m1/s1
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15n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2A adrenergic receptor expressed in LM(tk-) cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473226
PNG
(CHEMBL297827)
Show SMILES C(\C=C\c1ccccc1)[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:20,THB:16:15:14:12.11|
Show InChI InChI=1S/C19H24N2O/c1-2-5-14(6-3-1)7-4-8-17-15-9-10-16(13-15)18(17)21-19-20-11-12-22-19/h1-7,15-18H,8-13H2,(H,20,21)/b7-4+/t15?,16?,17-,18+/m0/s1
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16n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2A adrenergic receptor expressed in LM(tk-) cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473225
PNG
(CHEMBL297228)
Show SMILES C1CN=C(N[C@H]2CCCC[C@@H]2c2ccccc2)O1 |t:2|
Show InChI InChI=1S/C15H20N2O/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)17-15-16-10-11-18-15/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,17)/t13-,14+/m1/s1
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18n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2A adrenergic receptor expressed in LM(tk-) cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473232
PNG
(CHEMBL50719)
Show SMILES C([C@H]1CCCC[C@@H]1NC1=NCCO1)c1ccccc1 |t:9|
Show InChI InChI=1S/C16H22N2O/c1-2-6-13(7-3-1)12-14-8-4-5-9-15(14)18-16-17-10-11-19-16/h1-3,6-7,14-15H,4-5,8-12H2,(H,17,18)/t14-,15+/m1/s1
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21n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2A adrenergic receptor expressed in LM(tk-) cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50473225
PNG
(CHEMBL297228)
Show SMILES C1CN=C(N[C@H]2CCCC[C@@H]2c2ccccc2)O1 |t:2|
Show InChI InChI=1S/C15H20N2O/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)17-15-16-10-11-18-15/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,17)/t13-,14+/m1/s1
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22n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2B adrenergic receptor expressed in Y-1 cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473228
PNG
(AGN-190837 | CHEMBL297752)
Show SMILES CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:11|
Show InChI InChI=1S/C12H22N2O/c1-2-5-10-6-3-4-7-11(10)14-12-13-8-9-15-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11-/m0/s1
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25n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant determined using [3H]rauwolscine in LM(tk-) cells stably transfected with cloned human Alpha-2C adrenergic receptor


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473224
PNG
(CHEMBL296660)
Show SMILES CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:13,THB:10:9:8:6.5|
Show InChI InChI=1S/C13H22N2O/c1-2-3-11-9-4-5-10(8-9)12(11)15-13-14-6-7-16-13/h9-12H,2-8H2,1H3,(H,14,15)/t9?,10?,11-,12+/m0/s1
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28n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2A adrenergic receptor expressed in LM(tk-) cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473231
PNG
(CHEMBL48341)
Show SMILES C(C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)Cc1ccccc1 |t:12,THB:9:8:7:5.4|
Show InChI InChI=1S/C19H26N2O/c1-2-5-14(6-3-1)7-4-8-17-15-9-10-16(13-15)18(17)21-19-20-11-12-22-19/h1-3,5-6,15-18H,4,7-13H2,(H,20,21)/t15?,16?,17-,18+/m0/s1
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31n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2A adrenergic receptor expressed in LM(tk-) cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50473227
PNG
(CHEMBL50720)
Show SMILES C(C[C@H]1CCCC[C@@H]1NC1=NCCO1)Cc1ccccc1 |t:10|
Show InChI InChI=1S/C18H26N2O/c1-2-7-15(8-3-1)9-6-11-16-10-4-5-12-17(16)20-18-19-13-14-21-18/h1-3,7-8,16-17H,4-6,9-14H2,(H,19,20)/t16-,17+/m1/s1
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32n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2B adrenergic receptor expressed in Y-1 cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473227
PNG
(CHEMBL50720)
Show SMILES C(C[C@H]1CCCC[C@@H]1NC1=NCCO1)Cc1ccccc1 |t:10|
Show InChI InChI=1S/C18H26N2O/c1-2-7-15(8-3-1)9-6-11-16-10-4-5-12-17(16)20-18-19-13-14-21-18/h1-3,7-8,16-17H,4-6,9-14H2,(H,19,20)/t16-,17+/m1/s1
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32n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant, using [3H]rauwolscine in LM(tk-) cells stably transfected with cloned human Alpha-2C adrenergic receptor


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50473232
PNG
(CHEMBL50719)
Show SMILES C([C@H]1CCCC[C@@H]1NC1=NCCO1)c1ccccc1 |t:9|
Show InChI InChI=1S/C16H22N2O/c1-2-6-13(7-3-1)12-14-8-4-5-9-15(14)18-16-17-10-11-19-16/h1-3,6-7,14-15H,4-5,8-12H2,(H,17,18)/t14-,15+/m1/s1
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41n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2B adrenergic receptor expressed in Y-1 cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50473229
PNG
(CHEMBL295186)
Show SMILES C([C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)c1ccccc1 |t:11,THB:8:7:6:3.4|
Show InChI InChI=1S/C17H22N2O/c1-2-4-12(5-3-1)10-15-13-6-7-14(11-13)16(15)19-17-18-8-9-20-17/h1-5,13-16H,6-11H2,(H,18,19)/t13?,14?,15-,16+/m0/s1
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41n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2B adrenergic receptor expressed in Y-1 cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473225
PNG
(CHEMBL297228)
Show SMILES C1CN=C(N[C@H]2CCCC[C@@H]2c2ccccc2)O1 |t:2|
Show InChI InChI=1S/C15H20N2O/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)17-15-16-10-11-18-15/h1-3,6-7,13-14H,4-5,8-11H2,(H,16,17)/t13-,14+/m1/s1
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52n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant, using [3H]rauwolscine in LM(tk-) cells stably transfected with cloned human Alpha-2C adrenergic receptor


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473232
PNG
(CHEMBL50719)
Show SMILES C([C@H]1CCCC[C@@H]1NC1=NCCO1)c1ccccc1 |t:9|
Show InChI InChI=1S/C16H22N2O/c1-2-6-13(7-3-1)12-14-8-4-5-9-15(14)18-16-17-10-11-19-16/h1-3,6-7,14-15H,4-5,8-12H2,(H,17,18)/t14-,15+/m1/s1
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66n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant, using [3H]rauwolscine in LM(tk-) cells stably transfected with cloned human Alpha-2C adrenergic receptor


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473229
PNG
(CHEMBL295186)
Show SMILES C([C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)c1ccccc1 |t:11,THB:8:7:6:3.4|
Show InChI InChI=1S/C17H22N2O/c1-2-4-12(5-3-1)10-15-13-6-7-14(11-13)16(15)19-17-18-8-9-20-17/h1-5,13-16H,6-11H2,(H,18,19)/t13?,14?,15-,16+/m0/s1
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79n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant, using [3H]rauwolscine in LM(tk-) cells stably transfected with cloned human Alpha-2C adrenergic receptor


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473226
PNG
(CHEMBL297827)
Show SMILES C(\C=C\c1ccccc1)[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:20,THB:16:15:14:12.11|
Show InChI InChI=1S/C19H24N2O/c1-2-5-14(6-3-1)7-4-8-17-15-9-10-16(13-15)18(17)21-19-20-11-12-22-19/h1-7,15-18H,8-13H2,(H,20,21)/b7-4+/t15?,16?,17-,18+/m0/s1
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85n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant, using [3H]rauwolscine in LM(tk-) cells stably transfected with cloned human Alpha-2C adrenergic receptor


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50473224
PNG
(CHEMBL296660)
Show SMILES CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:13,THB:10:9:8:6.5|
Show InChI InChI=1S/C13H22N2O/c1-2-3-11-9-4-5-10(8-9)12(11)15-13-14-6-7-16-13/h9-12H,2-8H2,1H3,(H,14,15)/t9?,10?,11-,12+/m0/s1
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91n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2B adrenergic receptor expressed in Y-1 cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50473226
PNG
(CHEMBL297827)
Show SMILES C(\C=C\c1ccccc1)[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:20,THB:16:15:14:12.11|
Show InChI InChI=1S/C19H24N2O/c1-2-5-14(6-3-1)7-4-8-17-15-9-10-16(13-15)18(17)21-19-20-11-12-22-19/h1-7,15-18H,8-13H2,(H,20,21)/b7-4+/t15?,16?,17-,18+/m0/s1
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102n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2B adrenergic receptor expressed in Y-1 cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473224
PNG
(CHEMBL296660)
Show SMILES CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:13,THB:10:9:8:6.5|
Show InChI InChI=1S/C13H22N2O/c1-2-3-11-9-4-5-10(8-9)12(11)15-13-14-6-7-16-13/h9-12H,2-8H2,1H3,(H,14,15)/t9?,10?,11-,12+/m0/s1
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123n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant, using [3H]rauwolscine in LM(tk-) cells stably transfected with cloned human Alpha-2C adrenergic receptor


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473231
PNG
(CHEMBL48341)
Show SMILES C(C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)Cc1ccccc1 |t:12,THB:9:8:7:5.4|
Show InChI InChI=1S/C19H26N2O/c1-2-5-14(6-3-1)7-4-8-17-15-9-10-16(13-15)18(17)21-19-20-11-12-22-19/h1-3,5-6,15-18H,4,7-13H2,(H,20,21)/t15?,16?,17-,18+/m0/s1
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123n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant, using [3H]rauwolscine in LM(tk-) cells stably transfected with cloned human Alpha-2C adrenergic receptor


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50473231
PNG
(CHEMBL48341)
Show SMILES C(C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)Cc1ccccc1 |t:12,THB:9:8:7:5.4|
Show InChI InChI=1S/C19H26N2O/c1-2-5-14(6-3-1)7-4-8-17-15-9-10-16(13-15)18(17)21-19-20-11-12-22-19/h1-3,5-6,15-18H,4,7-13H2,(H,20,21)/t15?,16?,17-,18+/m0/s1
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141n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Inhibitory constant against human Alpha-2B adrenergic receptor expressed in Y-1 cells using [3H]rauwolscine


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473224
PNG
(CHEMBL296660)
Show SMILES CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:13,THB:10:9:8:6.5|
Show InChI InChI=1S/C13H22N2O/c1-2-3-11-9-4-5-10(8-9)12(11)15-13-14-6-7-16-13/h9-12H,2-8H2,1H3,(H,14,15)/t9?,10?,11-,12+/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha-2A adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473228
PNG
(AGN-190837 | CHEMBL297752)
Show SMILES CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:11|
Show InChI InChI=1S/C12H22N2O/c1-2-5-10-6-3-4-7-11(10)14-12-13-8-9-15-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11-/m0/s1
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n/an/an/an/a 4.10n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha-2C adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473227
PNG
(CHEMBL50720)
Show SMILES C(C[C@H]1CCCC[C@@H]1NC1=NCCO1)Cc1ccccc1 |t:10|
Show InChI InChI=1S/C18H26N2O/c1-2-7-15(8-3-1)9-6-11-16-10-4-5-12-17(16)20-18-19-13-14-21-18/h1-3,7-8,16-17H,4-6,9-14H2,(H,19,20)/t16-,17+/m1/s1
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n/an/an/an/a 27n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha2c receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473226
PNG
(CHEMBL297827)
Show SMILES C(\C=C\c1ccccc1)[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:20,THB:16:15:14:12.11|
Show InChI InChI=1S/C19H24N2O/c1-2-5-14(6-3-1)7-4-8-17-15-9-10-16(13-15)18(17)21-19-20-11-12-22-19/h1-7,15-18H,8-13H2,(H,20,21)/b7-4+/t15?,16?,17-,18+/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha2c receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473228
PNG
(AGN-190837 | CHEMBL297752)
Show SMILES CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:11|
Show InChI InChI=1S/C12H22N2O/c1-2-5-10-6-3-4-7-11(10)14-12-13-8-9-15-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha-2A adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473231
PNG
(CHEMBL48341)
Show SMILES C(C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)Cc1ccccc1 |t:12,THB:9:8:7:5.4|
Show InChI InChI=1S/C19H26N2O/c1-2-5-14(6-3-1)7-4-8-17-15-9-10-16(13-15)18(17)21-19-20-11-12-22-19/h1-3,5-6,15-18H,4,7-13H2,(H,20,21)/t15?,16?,17-,18+/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha-2A adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473231
PNG
(CHEMBL48341)
Show SMILES C(C[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)Cc1ccccc1 |t:12,THB:9:8:7:5.4|
Show InChI InChI=1S/C19H26N2O/c1-2-5-14(6-3-1)7-4-8-17-15-9-10-16(13-15)18(17)21-19-20-11-12-22-19/h1-3,5-6,15-18H,4,7-13H2,(H,20,21)/t15?,16?,17-,18+/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha2c receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50473224
PNG
(CHEMBL296660)
Show SMILES CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:13,THB:10:9:8:6.5|
Show InChI InChI=1S/C13H22N2O/c1-2-3-11-9-4-5-10(8-9)12(11)15-13-14-6-7-16-13/h9-12H,2-8H2,1H3,(H,14,15)/t9?,10?,11-,12+/m0/s1
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n/an/an/an/a 562n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha-2B adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473226
PNG
(CHEMBL297827)
Show SMILES C(\C=C\c1ccccc1)[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:20,THB:16:15:14:12.11|
Show InChI InChI=1S/C19H24N2O/c1-2-5-14(6-3-1)7-4-8-17-15-9-10-16(13-15)18(17)21-19-20-11-12-22-19/h1-7,15-18H,8-13H2,(H,20,21)/b7-4+/t15?,16?,17-,18+/m0/s1
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n/an/an/an/a 71n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha-2A adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473224
PNG
(CHEMBL296660)
Show SMILES CCC[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1 |t:13,THB:10:9:8:6.5|
Show InChI InChI=1S/C13H22N2O/c1-2-3-11-9-4-5-10(8-9)12(11)15-13-14-6-7-16-13/h9-12H,2-8H2,1H3,(H,14,15)/t9?,10?,11-,12+/m0/s1
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n/an/an/an/a 21n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha2c receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50473228
PNG
(AGN-190837 | CHEMBL297752)
Show SMILES CCC[C@H]1CCCC[C@@H]1NC1=NCCO1 |t:11|
Show InChI InChI=1S/C12H22N2O/c1-2-5-10-6-3-4-7-11(10)14-12-13-8-9-15-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11-/m0/s1
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n/an/an/an/a 9.30n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha-2B adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473229
PNG
(CHEMBL295186)
Show SMILES C([C@H]1C2CCC(C2)[C@H]1NC1=NCCO1)c1ccccc1 |t:11,THB:8:7:6:3.4|
Show InChI InChI=1S/C17H22N2O/c1-2-4-12(5-3-1)10-15-13-6-7-14(11-13)16(15)19-17-18-8-9-20-17/h1-5,13-16H,6-11H2,(H,18,19)/t13?,14?,15-,16+/m0/s1
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n/an/an/an/a 14n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha2c receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair