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Compile Data Set for Download or QSAR

Found 226 hits of ki for UniProtKB: P18825   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50213212
PNG
(CHEMBL50390)
Show SMILES Cc1c(NC2=NCCN2)ccc2OCCOc12 |t:4|
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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562355
PNG
(CHEMBL4755913)
Show SMILES Cl.Cl.CCCNC(=N)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 |t:17|
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0.820n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Show InChI InChI=1S/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)


Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Show InChI InChI=1S/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)


Article DOI: 10.1021/jm070229q
BindingDB Entry DOI: 10.7270/Q2571FSN
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50052882
PNG
(AGN-193080 | CHEMBL298936 | Imidazolidin-2-ylidene...)
Show SMILES [#6]-c1c(ccc2-[#8]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C12H16N4O/c1-8-9(16-12-14-4-5-15-12)2-3-10-11(8)13-6-7-17-10/h2-3,13H,4-7H2,1H3,(H2,14,15,16)
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1.20n/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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V1270C
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES [#6]-c1c(ccc2nccnc12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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1.30n/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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1 |t:14|
Show InChI InChI=1S/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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1.40n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha-2 adrenergic receptor in human brain pre-frontal cortex neural membranes after 30 mins by liquid scintillatio...


Eur J Med Chem 123: 48-57 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.011
BindingDB Entry DOI: 10.7270/Q2833W2X
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM34572
PNG
(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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1.40n/an/an/an/an/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Binding affinity to alpha2 adrenoceptor in human cortical membrane


J Med Chem 52: 601-9 (2009)


Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50476638
PNG
(CHEMBL75389)
Show SMILES C(c1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1 |t:6,20|
Show InChI InChI=1S/C19H22N6/c1-5-16(24-18-20-9-10-21-18)6-2-14(1)13-15-3-7-17(8-4-15)25-19-22-11-12-23-19/h1-8H,9-13H2,(H2,20,21,24)(H2,22,23,25)
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1.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50476638
PNG
(CHEMBL75389)
Show SMILES C(c1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1 |t:6,20|
Show InChI InChI=1S/C19H22N6/c1-5-16(24-18-20-9-10-21-18)6-2-14(1)13-15-3-7-17(8-4-15)25-19-22-11-12-23-19/h1-8H,9-13H2,(H2,20,21,24)(H2,22,23,25)
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1.60n/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)


Article DOI: 10.1021/jm070229q
BindingDB Entry DOI: 10.7270/Q2571FSN
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562354
PNG
(CHEMBL4763113)
Show SMILES Cl.Cl.N=C(NCc1ccco1)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 |t:21|
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1.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM34572
PNG
(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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2.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor of HT-29 cells


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V1270C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM34572
PNG
(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12 |t:4|
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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2.40n/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
3D
3D Structure (crystal)
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50213214
PNG
(CHEMBL42139)
Show SMILES C1CN=C(Nc2ccc3OCCOc3c2)N1 |t:2|
Show InChI InChI=1S/C11H13N3O2/c1-2-9-10(16-6-5-15-9)7-8(1)14-11-12-3-4-13-11/h1-2,7H,3-6H2,(H2,12,13,14)
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3.10n/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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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3.80n/an/an/an/an/an/an/an/a



Universit£ de Strasbourg

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2 adrenoceptor expressed in CHO cell membranes after 60 mins


J Med Chem 58: 878-87 (2015)


Article DOI: 10.1021/jm501456p
BindingDB Entry DOI: 10.7270/Q2R21333
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in post-mortem human brain frontal cortex membrane measured after 30 mins by liquid sc...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113540
BindingDB Entry DOI: 10.7270/Q2X06BVM
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from three separate experiments using 10 i...


J Med Chem 27: 918-21 (1984)


BindingDB Entry DOI: 10.7270/Q2125VWH
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50029050
PNG
((-)-(R)-epinephrine | (-)-3,4-dihydroxy-alpha-((me...)
Show SMILES CNC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
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5n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha 2-Adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]clonidine


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50213211
PNG
(CHEMBL50769)
Show SMILES COc1ccc(NC2=NCCN2)c(C)c1OC |t:7|
Show InChI InChI=1S/C12H17N3O2/c1-8-9(15-12-13-6-7-14-12)4-5-10(16-2)11(8)17-3/h4-5H,6-7H2,1-3H3,(H2,13,14,15)
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5.20n/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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50213028
PNG
(CHEMBL74283)
Show SMILES Brc1c(NC2=NCCN2)ccc2NCCNc12 |t:4|
Show InChI InChI=1S/C11H14BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-2,13-14H,3-6H2,(H2,15,16,17)
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V1270C
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50225305
PNG
(CHEMBL433730)
Show SMILES Clc1cccc2CCN(CC=C)CCc12
Show InChI InChI=1S/C13H16ClN/c1-2-8-15-9-6-11-4-3-5-13(14)12(11)7-10-15/h2-5H,1,6-10H2
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6.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from three separate experiments using 10 i...


J Med Chem 27: 918-21 (1984)


BindingDB Entry DOI: 10.7270/Q2125VWH
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50052881
PNG
(AGN-192172 | CHEMBL49284 | Imidazolidin-2-ylidene-...)
Show SMILES [#6]-c1c(ccc2-[#7]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C12H17N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-3,13-14H,4-7H2,1H3,(H2,15,16,17)
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6.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V1270C
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50225327
PNG
(CHEMBL31062)
Show SMILES CNCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C11H15NO2/c1-12-6-7-2-3-9-8(7)4-5-10(13)11(9)14/h4-5,7,12-14H,2-3,6H2,1H3
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


BindingDB Entry DOI: 10.7270/Q2891837
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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7.5n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-2 adrenergic receptor


J Med Chem 47: 1303-14 (2004)


Article DOI: 10.1021/jm030480f
BindingDB Entry DOI: 10.7270/Q2FN16X5
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50213213
PNG
(CHEMBL50430)
Show SMILES [#6]-c1ccccc1\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C10H13N3/c1-8-4-2-3-5-9(8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
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7.80n/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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019057
PNG
((+/-)4-Fluoro-5-(1-hydroxy-2-methylamino-ethyl)-be...)
Show SMILES CNCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C9H12FNO3/c1-11-4-9(14)5-2-7(12)8(13)3-6(5)10/h2-3,9,11-14H,4H2,1H3
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9n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against beta-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of Dihydro-[3H]-alprenolol


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50052881
PNG
(AGN-192172 | CHEMBL49284 | Imidazolidin-2-ylidene-...)
Show SMILES [#6]-c1c(ccc2-[#7]-[#6]-[#6]-[#7]-c12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
Show InChI InChI=1S/C12H17N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-3,13-14H,4-7H2,1H3,(H2,15,16,17)
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9.60n/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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50225302
PNG
(CHEMBL433083)
Show SMILES CN(C)CC1OCc2c1ccc(O)c2O
Show InChI InChI=1S/C11H15NO3/c1-12(2)5-10-7-3-4-9(13)11(14)8(7)6-15-10/h3-4,10,13-14H,5-6H2,1-2H3
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


BindingDB Entry DOI: 10.7270/Q2891837
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562353
PNG
(CHEMBL3216452)
Show SMILES Cl.Cl.[#7]-[#6](=[#7])-[#7]-c1ccc(-[#6]-c2ccc(cc2)\[#7]=[#6]-2\[#7]-[#6]-[#6]-[#7]-2)cc1
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019061
PNG
((+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-...)
Show SMILES NCC(O)c1cc(O)c(O)cc1F
Show InChI InChI=1S/C8H10FNO3/c9-5-2-7(12)6(11)1-4(5)8(13)3-10/h1-2,8,11-13H,3,10H2
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12n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]- WB-4101


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50225343
PNG
(CHEMBL31195)
Show SMILES NCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C10H13NO2/c11-5-6-1-2-8-7(6)3-4-9(12)10(8)13/h3-4,6,12-13H,1-2,5,11H2
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


BindingDB Entry DOI: 10.7270/Q2891837
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM66983
PNG
(6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazep...)
Show SMILES CN1CCc2cccc(Cl)c2CC1
Show InChI InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from three separate experiments using 10 i...


J Med Chem 27: 918-21 (1984)


BindingDB Entry DOI: 10.7270/Q2125VWH
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50225303
PNG
(CHEMBL52069)
Show SMILES CNCC1OCc2c1ccc(O)c2O
Show InChI InChI=1S/C10H13NO3/c1-11-4-9-6-2-3-8(12)10(13)7(6)5-14-9/h2-3,9,11-13H,4-5H2,1H3
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


BindingDB Entry DOI: 10.7270/Q2891837
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50476634
PNG
(4,4''-Di(2-Imidazolidinylimino)Diphenyl Sulfide | ...)
Show SMILES C1CN=C(Nc2ccc(Sc3ccc(NC4=NCCN4)cc3)cc2)N1 |t:2,15|
Show InChI InChI=1S/C18H20N6S/c1-5-15(6-2-13(1)23-17-19-9-10-20-17)25-16-7-3-14(4-8-16)24-18-21-11-12-22-18/h1-8H,9-12H2,(H2,19,20,23)(H2,21,22,24)
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18n/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)


Article DOI: 10.1021/jm070229q
BindingDB Entry DOI: 10.7270/Q2571FSN
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50225285
PNG
(CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...)
Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10|
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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21n/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)


Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50225285
PNG
(CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...)
Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10|
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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21n/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)


Article DOI: 10.1021/jm070229q
BindingDB Entry DOI: 10.7270/Q2571FSN
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50225334
PNG
(CHEMBL281064)
Show SMILES CN(C)CC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C12H17NO2/c1-13(2)7-8-3-4-10-9(8)5-6-11(14)12(10)15/h5-6,8,14-15H,3-4,7H2,1-2H3
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


BindingDB Entry DOI: 10.7270/Q2891837
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against alpha 2-Adrenergic receptor in guinea pig cerebral cortical membranes by displacement of [3H]clonidine


J Med Chem 31: 1972-7 (1988)


BindingDB Entry DOI: 10.7270/Q2V69K54
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50270852
PNG
(CHEMBL4125770)
Show SMILES Cl.NC(=N)Nc1cc2CCCCc2s1
Show InChI InChI=1S/C9H13N3S/c10-9(11)12-8-5-6-3-1-2-4-7(6)13-8/h5H,1-4H2,(H4,10,11,12)
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31n/an/an/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain prefrontal cortex membranes after 30 mins by microbeta liquid scintillati...


Eur J Med Chem 138: 38-50 (2017)


Article DOI: 10.1016/j.ejmech.2017.06.008
BindingDB Entry DOI: 10.7270/Q2BV7K3C
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562356
PNG
(CHEMBL4798553)
Show SMILES Cl.Cl.N=C(NCc1ccco1)Nc1ccc(Cc2ccc(NC3=NCCN3)cc2)cn1 |t:21|
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34n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50213216
PNG
(CHEMBL883)
Show SMILES NC(=N)Nc1ccc2nccnc2c1Br
Show InChI InChI=1S/C9H8BrN5/c10-7-5(15-9(11)12)1-2-6-8(7)14-4-3-13-6/h1-4H,(H4,11,12,15)
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41n/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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50213029
PNG
(CHEMBL49395)
Show SMILES C1CN=C(Nc2ccc3nccnc3c2)N1 |t:2|
Show InChI InChI=1S/C11H11N5/c1-2-9-10(13-4-3-12-9)7-8(1)16-11-14-5-6-15-11/h1-4,7H,5-6H2,(H2,14,15,16)
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41n/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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50479675
PNG
(CHEMBL473567)
Show SMILES CCN(C)c1ccc(NC2=NCCN2)cc1 |t:9|
Show InChI InChI=1S/C12H18N4/c1-3-16(2)11-6-4-10(5-7-11)15-12-13-8-9-14-12/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
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42n/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)


Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50213027
PNG
(CHEMBL342029)
Show SMILES C1CN=C(Nc2ccc3NCCNc3c2)N1 |t:2|
Show InChI InChI=1S/C11H15N5/c1-2-9-10(13-4-3-12-9)7-8(1)16-11-14-5-6-15-11/h1-2,7,12-13H,3-6H2,(H2,14,15,16)
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46n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in HT-29 cells


Citation and Details

BindingDB Entry DOI: 10.7270/Q2V1270C
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50562362
PNG
(CHEMBL444295)
Show SMILES C1CN=C(Nc2ccc3CCCCc3c2)N1 |t:2|
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47n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-RX821002 from adrenergic alpha 2 receptor in human brain membrane by liquid scintillation spectroscopy


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112947
BindingDB Entry DOI: 10.7270/Q2F47SVD
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50225307
PNG
(CHEMBL170660)
Show SMILES CN1CCc2c(Cl)ccc(OCC=C)c2CC1
Show InChI InChI=1S/C14H18ClNO/c1-3-10-17-14-5-4-13(15)11-6-8-16(2)9-7-12(11)14/h3-5H,1,6-10H2,2H3
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48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2-adrenergic receptor using 10 nM [3H]yohimbine in human platelet membranes from four to five separate experiments usi...


J Med Chem 27: 918-21 (1984)


BindingDB Entry DOI: 10.7270/Q2125VWH
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50179393
PNG
(Efaroxan)
Show SMILES CCC1(Cc2ccccc2O1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C13H16N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-6H,2,7-9H2,1H3,(H,14,15)
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX 821002 from Alpha-2 adrenergic receptors of rabbit white fat cell membranes


J Med Chem 46: 2169-76 (2003)


Article DOI: 10.1021/jm021113r
BindingDB Entry DOI: 10.7270/Q2HH6NSW
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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51n/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)


Article DOI: 10.1021/jm800838r
BindingDB Entry DOI: 10.7270/Q26M39MM
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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51n/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)


Article DOI: 10.1021/jm070229q
BindingDB Entry DOI: 10.7270/Q2571FSN
More data for this
Ligand-Target Pair
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