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Compile Data Set for Download or QSAR

Found 1438 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor alpha-2'   
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
Adrenergic receptor alpha-2


(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
Show InChI InChI=1/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+/s2
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n/an/an/a 60n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in high affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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
Show InChI InChI=1/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+/s2
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n/an/an/a 120n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in high affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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
Show InChI InChI=1/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+/s2
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n/an/an/a 2.30E+3n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in high affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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
Show InChI InChI=1/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+/s2
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n/an/an/a 4.80E+3n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in low affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1/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-/s2
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n/an/an/a 5.60E+3n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in high affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1/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-/s2
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n/an/an/a 2.50E+4n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in high affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1/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-/s2
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n/an/an/a 3.70E+4n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in high affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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
Show InChI InChI=1/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+/s2
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n/an/an/a 4.70E+4n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in high affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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
Show InChI InChI=1/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+/s2
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n/an/an/a 6.20E+4n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in low affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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
Show InChI InChI=1/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+/s2
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n/an/an/a 1.50E+5n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in low affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1/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-/s2
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n/an/an/a 1.70E+5n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in low affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1/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-/s2
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n/an/an/a 3.30E+5n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in high affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1/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-/s2
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n/an/an/a 6.40E+5n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in low affinity sites where the binding is in 50 mM phosphate buffer for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1/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-/s2
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n/an/an/a 1.30E+6n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in low affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1/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-/s2
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n/an/an/a 2.50E+6n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in low affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(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
Show InChI InChI=1/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+/s2
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n/an/an/a 5.40E+6n/an/an/an/an/a


TBA

Assay Description
Dissociation constant in low affinity sites where the binding is in acetonitrile/acetic acid for Alpha-2 adrenergic receptor


Citation and Details

BindingDB Entry DOI: 10.7270/Q2WQ05ZJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor in rat


J Med Chem 42: 5064-71 (1999)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM81807
PNG
(ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310)
Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1
Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
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0.126n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50227383
PNG
(CHEMBL556758)
Show SMILES Cl.CN1C(Cc2c1cccc2Cl)C1=NCCN1
Show InChI InChI=1/C12H14ClN3.ClH/c1-16-10-4-2-3-9(13)8(10)7-11(16)12-14-5-6-15-12;/h2-4,11H,5-7H2,1H3,(H,14,15);1H
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Article
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0.160n/an/an/an/an/an/an/an/a



Reckitt and Colman plc

Curated by ChEMBL


Assay Description
Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral cortical membranes.


J Med Chem 31: 944-8 (1988)


Article DOI: 10.1021/jm00400a009
BindingDB Entry DOI: 10.7270/Q22F7QNK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226939
PNG
(CHEMBL36616)
Show SMILES CCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1/C13H17N3/c1-2-16-11-6-4-3-5-10(11)9-12(16)13-14-7-8-15-13/h3-6,12H,2,7-9H2,1H3,(H,14,15)
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0.240n/an/an/an/an/an/an/an/a



Reckitt and Colman plc

Curated by ChEMBL


Assay Description
Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral cortical membranes.


J Med Chem 31: 944-8 (1988)


Article DOI: 10.1021/jm00400a009
BindingDB Entry DOI: 10.7270/Q22F7QNK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50213212
PNG
(CHEMBL50390)
Show SMILES Cc1c(NC2=NCCN2)ccc2OCCOc12
Show InChI InChI=1S/C12H15N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-3H,4-7H2,1H3,(H2,13,14,15)
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0.25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


Citation and Details

BindingDB Entry DOI: 10.7270/Q22J6F1V
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50228318
PNG
(CHEMBL279807)
Show SMILES COc1ccc2[C@@H]3C[C@@H]4[C@H](CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17-,18+/m1/s1
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0.355n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50228318
PNG
(CHEMBL279807)
Show SMILES COc1ccc2[C@@H]3C[C@@H]4[C@H](CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17-,18+/m1/s1
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0.355n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 32: 2034-6 (1989)


Article DOI: 10.1021/jm00129a002
BindingDB Entry DOI: 10.7270/Q2WH2S78
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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0.360n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
BindingDB Entry DOI: 10.7270/Q20V8G02
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]prazosin from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50227384
PNG
(CHEMBL172132)
Show SMILES CCN1C(Cc2c1cccc2Cl)C1=NCCN1
Show InChI InChI=1/C13H16ClN3/c1-2-17-11-5-3-4-10(14)9(11)8-12(17)13-15-6-7-16-13/h3-5,12H,2,6-8H2,1H3,(H,15,16)
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0.420n/an/an/an/an/an/an/an/a



Reckitt and Colman plc

Curated by ChEMBL


Assay Description
Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral cortical membranes.


J Med Chem 31: 944-8 (1988)


Article DOI: 10.1021/jm00400a009
BindingDB Entry DOI: 10.7270/Q22F7QNK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50469638
PNG
(NAPITANE)
Show SMILES C([C@@H]1CCCc2c3OCOc3ccc12)N1CC[C@@H](C1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-2-5-16(6-3-1)17-11-12-23(13-17)14-18-7-4-8-20-19(18)9-10-21-22(20)25-15-24-21/h1-3,5-6,9-10,17-18H,4,7-8,11-15H2/t17-,18-/m0/s1
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0.428n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radioligand binding assay using [3H]rauwolscine


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226938
PNG
(CHEMBL38829)
Show SMILES CN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1/C12H15N3/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12/h2-5,11H,6-8H2,1H3,(H,13,14)
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0.450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229080
PNG
(CHEMBL349665)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C23H28N2O3S/c1-28-19-8-10-20(11-9-19)29(26,27)25-13-4-6-18-16-24-14-12-17-5-2-3-7-21(17)23(24)15-22(18)25/h2-3,5,7-11,18,22-23H,4,6,12-16H2,1H3/t18-,22+,23+/m1/s1
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0.457n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226949
PNG
(CHEMBL416072)
Show SMILES C=CCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1/C14H17N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h2-6,13H,1,7-10H2,(H,15,16)
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0.470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50469636
PNG
(CHEMBL25014)
Show SMILES C([C@@H]1CCCc2c3OCOc3ccc12)N1CC[C@H](C1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-2-5-16(6-3-1)17-11-12-23(13-17)14-18-7-4-8-20-19(18)9-10-21-22(20)25-15-24-21/h1-3,5-6,9-10,17-18H,4,7-8,11-15H2/t17-,18+/m1/s1
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0.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radioligand binding assay using [3H]rauwolscine


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226801
PNG
(CHEMBL7707)
Show SMILES Oc1ccc2[C@@H](CCCc2c1O)C1=NCCN1
Show InChI InChI=1S/C13H16N2O2/c16-11-5-4-8-9(12(11)17)2-1-3-10(8)13-14-6-7-15-13/h4-5,10,16-17H,1-3,6-7H2,(H,14,15)/t10-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2 adrenergic receptor in rat cortex using [3H]rauwolscine.


J Med Chem 30: 1011-7 (1987)


Article DOI: 10.1021/jm00389a009
BindingDB Entry DOI: 10.7270/Q2T155VK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50122243
PNG
(4-Chloro-5-[4-(furan-2-carbonyl)-piperazin-1-yl]-2...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C33H45ClN6O4/c1-26(2)44-29-12-7-6-11-27(29)37-18-16-36(17-19-37)14-8-4-3-5-9-15-40-33(42)31(34)28(25-35-40)38-20-22-39(23-21-38)32(41)30-13-10-24-43-30/h6-7,10-13,24-26H,3-5,8-9,14-23H2,1-2H3
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0.560n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Inhibitory concentration against alphaV-beta3 integrin using vitronectin ELISA assay.


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229162
PNG
(CHEMBL349747)
Show SMILES COCCS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc(OC)ccc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C20H30N2O4S/c1-25-10-11-27(23,24)22-8-3-4-16-14-21-9-7-15-12-17(26-2)5-6-18(15)20(21)13-19(16)22/h5-6,12,16,19-20H,3-4,7-11,13-14H2,1-2H3/t16-,19+,20+/m1/s1
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0.603n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229147
PNG
(CHEMBL348793)
Show SMILES CS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc5OCOc5cc4[C@@H]3C[C@@H]12
Show InChI InChI=1S/C18H24N2O4S/c1-25(21,22)20-5-2-3-13-10-19-6-4-12-7-17-18(24-11-23-17)8-14(12)16(19)9-15(13)20/h7-8,13,15-16H,2-6,9-11H2,1H3/t13-,15-,16+/m1/s1
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0.646n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229143
PNG
(CHEMBL162971)
Show SMILES CS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc5OCOc5cc4[C@@H]3C[C@H]12
Show InChI InChI=1S/C18H24N2O4S/c1-25(21,22)20-5-2-3-13-10-19-6-4-12-7-17-18(24-11-23-17)8-14(12)16(19)9-15(13)20/h7-8,13,15-16H,2-6,9-11H2,1H3/t13-,15+,16+/m1/s1
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0.661n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50228316
PNG
(CHEMBL62912)
Show SMILES COc1ccc2C3CC4C(CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3
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0.661n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 32: 2034-6 (1989)


Article DOI: 10.1021/jm00129a002
BindingDB Entry DOI: 10.7270/Q2WH2S78
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229179
PNG
(DELEQUAMINE | Delequamine)
Show SMILES COc1ccc2[C@@H]3C[C@H]4[C@H](CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17+,18+/m1/s1
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0.661n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226938
PNG
(CHEMBL38829)
Show SMILES CN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1/C12H15N3/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12/h2-5,11H,6-8H2,1H3,(H,13,14)
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0.690n/an/an/an/an/an/an/an/a



Reckitt and Colman plc

Curated by ChEMBL


Assay Description
Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral cortical membranes.


J Med Chem 31: 944-8 (1988)


Article DOI: 10.1021/jm00400a009
BindingDB Entry DOI: 10.7270/Q22F7QNK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50229152
PNG
(CHEMBL349004)
Show SMILES Cc1ccc2[C@@H]3C[C@H]4[C@H](CCCN4S(C)(=O)=O)CN3CCc2c1
Show InChI InChI=1S/C18H26N2O2S/c1-13-5-6-16-14(10-13)7-9-19-12-15-4-3-8-20(23(2,21)22)17(15)11-18(16)19/h5-6,10,15,17-18H,3-4,7-9,11-12H2,1-2H3/t15-,17+,18+/m1/s1
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0.708n/an/an/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Binding affinity to alpha-2 adrenergic receptor determined by measurement of [3H]yohimbine displacement from rat cortical membrane


J Med Chem 34: 705-17 (1991)


Article DOI: 10.1021/jm00106a036
BindingDB Entry DOI: 10.7270/Q2MW2KBF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50469635
PNG
(NAPITANE | Napitane)
Show SMILES C(C1CCCc2c3OCOc3ccc12)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C22H25NO2/c1-2-5-16(6-3-1)17-11-12-23(13-17)14-18-7-4-8-20-19(18)9-10-21-22(20)25-15-24-21/h1-3,5-6,9-10,17-18H,4,7-8,11-15H2
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0.708n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro binding affinity at Alpha-2 adrenergic receptor in rat cortex by radioligand binding assay using [3H]rauwolscine


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226962
PNG
(CHEMBL41224)
Show SMILES CN1C(Cc2cccc(Cl)c12)C1=NCCN1
Show InChI InChI=1/C12H14ClN3/c1-16-10(12-14-5-6-15-12)7-8-3-2-4-9(13)11(8)16/h2-4,10H,5-7H2,1H3,(H,14,15)
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0.720n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473523
PNG
(CHEMBL167578)
Show SMILES C1C([C@H]2CN=CN2)C11Cc2ccccc2C1
Show InChI InChI=1S/C14H16N2/c1-2-4-11-6-14(5-10(11)3-1)7-12(14)13-8-15-9-16-13/h1-4,9,12-13H,5-8H2,(H,15,16)/t12?,13-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database


Assay Description
In vitro binding affinity against alpha-2 adrenergic receptor of rat in presence of [3H]-RX 821002 radioligand


J Med Chem 44: 787-805 (2001)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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0.800n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]idazoxan from alpha-2 adrenergic receptor from rat brain cerebral cortex.


J Med Chem 29: 2000-3 (1986)


Article DOI: 10.1021/jm00160a033
BindingDB Entry DOI: 10.7270/Q20V8G02
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50019855
PNG
(2-(4,5-Dihydro-1H-imidazol-2-yl)-5-fluoro-1-methyl...)
Show SMILES CN1C(Cc2cc(F)ccc12)C1=NCCN1
Show InChI InChI=1/C12H14FN3/c1-16-10-3-2-9(13)6-8(10)7-11(16)12-14-4-5-15-12/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
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0.910n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226939
PNG
(CHEMBL36616)
Show SMILES CCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1/C13H17N3/c1-2-16-11-6-4-3-5-10(11)9-12(16)13-14-7-8-15-13/h3-6,12H,2,7-9H2,1H3,(H,14,15)
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0.910n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor was determined by the displacement of [3H]clonidine from rat brain cortical membranes


J Med Chem 30: 1555-62 (1987)


Article DOI: 10.1021/jm00392a005
BindingDB Entry DOI: 10.7270/Q2NC63FN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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0.912n/an/an/an/an/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain frontal cortex


J Med Chem 50: 4516-27 (2007)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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0.912n/an/an/an/an/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2 adrenoceptor in human prefrontal cortex neural membrane after 30 mins by liquid scintillation spectrometry


J Med Chem 52: 601-9 (2009)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50226961
PNG
(CHEMBL38788)
Show SMILES CCCN1C(Cc2ccccc12)C1=NCCN1
Show InChI InChI=1/C14H19N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h3-6,13H,2,7-10H2,1H3,(H,15,16)
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0.960n/an/an/an/an/an/an/an/a



Reckitt and Colman plc

Curated by ChEMBL


Assay Description
Inhibition of saturable binding of [3H]idazoxan to alpha2-site in rat cerebral cortical membranes.


J Med Chem 31: 944-8 (1988)


Article DOI: 10.1021/jm00400a009
BindingDB Entry DOI: 10.7270/Q22F7QNK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50021195
PNG
(2-Hydroxy-ethanesulfonic acid (1,3,4,5,6,11b-hexah...)
Show SMILES CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO
Show InChI InChI=1S/C18H24N2O4S/c1-19(25(22,23)11-10-21)13-6-8-20-9-7-15-14-4-2-3-5-17(14)24-18(15)16(20)12-13/h2-5,13,16,21H,6-12H2,1H3/t13-,16+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human plasma renin


J Med Chem 28: 1756-9 (1986)


Article DOI: 10.1021/jm00150a002
BindingDB Entry DOI: 10.7270/Q2JW8CWS
More data for this
Ligand-Target Pair
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