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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50003860   
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/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))
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))
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 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))
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
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50476630
PNG
(CHEMBL242102)
Show SMILES C1CN=C(Nc2ccc(Nc3ccc(NC4=NCCN4)cc3)cc2)N1 |t:2,15|
Show InChI InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25)
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58n/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))
BDBM50476629
PNG
(4,4''-Di(2-Imidazolidinylimino)Diphenyl Ether | CH...)
Show SMILES C1CN=C(Nc2ccc(Oc3ccc(NC4=NCCN4)cc3)cc2)N1 |t:2,15|
Show InChI InChI=1S/C18H20N6O/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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100n/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))
BDBM50476645
PNG
(CHEMBL428395)
Show SMILES NC(=N)Nc1ccc(Sc2ccc(NC(N)=N)cc2)cc1
Show InChI InChI=1S/C14H16N6S/c15-13(16)19-9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)20-14(17)18/h1-8H,(H4,15,16,19)(H4,17,18,20)
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269n/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))
BDBM50476633
PNG
(CHEMBL77633)
Show SMILES NC(=N)Nc1ccc(Cc2ccc(NC(N)=N)cc2)cc1
Show InChI InChI=1S/C15H18N6/c16-14(17)20-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21-15(18)19/h1-8H,9H2,(H4,16,17,20)(H4,18,19,21)
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417n/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))
BDBM50476644
PNG
(CHEMBL535858)
Show SMILES Cl.C1CN=C(Nc2ccc(cc2)N2CCN(CC2)c2ccc(NC3=NCCN3)cc2)N1 |t:2,24|
Show InChI InChI=1S/C22H28N8/c1-5-19(6-2-17(1)27-21-23-9-10-24-21)29-13-15-30(16-14-29)20-7-3-18(4-8-20)28-22-25-11-12-26-22/h1-8H,9-16H2,(H2,23,24,27)(H2,25,26,28)
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468n/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))
BDBM50476640
PNG
(Amino({4-[(4-{[Amino(Iminio)Methyl]Amino}Phenyl)Am...)
Show SMILES NC(=N)Nc1ccc(Nc2ccc(NC(N)=N)cc2)cc1
Show InChI InChI=1S/C14H17N7/c15-13(16)20-11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21-14(17)18/h1-8,19H,(H4,15,16,20)(H4,17,18,21)
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1.00E+3n/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))
BDBM50476637
PNG
(1,4-Bis(Guanidinophenyl)Piperazine Tetrahydrochlor...)
Show SMILES Cl.NC(=N)Nc1ccc(cc1)N1CCN(CC1)c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C18H24N8/c19-17(20)23-13-1-5-15(6-2-13)25-9-11-26(12-10-25)16-7-3-14(4-8-16)24-18(21)22/h1-8H,9-12H2,(H4,19,20,23)(H4,21,22,24)
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1.07E+3n/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))
BDBM50476642
PNG
(CHEMBL73758)
Show SMILES O=C(c1ccc(NC2=NCCN2)cc1)c1ccc(NC2=NCCN2)cc1 |t:7,21|
Show InChI InChI=1S/C19H20N6O/c26-17(13-1-5-15(6-2-13)24-18-20-9-10-21-18)14-3-7-16(8-4-14)25-19-22-11-12-23-19/h1-8H,9-12H2,(H2,20,21,24)(H2,22,23,25)
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1.59E+3n/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))
BDBM50476641
PNG
(CHEMBL243288)
Show SMILES NC(=N)Nc1ccc(Oc2ccc(NC(N)=N)cc2)cc1
Show InChI InChI=1S/C14H16N6O/c15-13(16)19-9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)20-14(17)18/h1-8H,(H4,15,16,19)(H4,17,18,20)
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1.66E+3n/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))
BDBM50476643
PNG
(CHEMBL308767)
Show SMILES NC(=N)Nc1ccc(cc1)C(=O)c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C15H16N6O/c16-14(17)20-11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)21-15(18)19/h1-8H,(H4,16,17,20)(H4,18,19,21)
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6.31E+3n/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))
BDBM50476630
PNG
(CHEMBL242102)
Show SMILES C1CN=C(Nc2ccc(Nc3ccc(NC4=NCCN4)cc3)cc2)N1 |t:2,15|
Show InChI InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25)
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n/an/an/an/a 4.38E+3n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Antagonist activity at human brain adrenergic alpha-2 receptor assessed as UK-14304-stimulated [35S]GTPgammaS binding at 10 uM


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))
BDBM50476646
PNG
(CHEMBL242839)
Show SMILES NC(=N)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C9H11N3O2/c10-9(11)12-6-1-2-7-8(5-6)14-4-3-13-7/h1-2,5H,3-4H2,(H4,10,11,12)
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n/an/an/an/a 4.22E+4n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay


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))
BDBM50476629
PNG
(4,4''-Di(2-Imidazolidinylimino)Diphenyl Ether | CH...)
Show SMILES C1CN=C(Nc2ccc(Oc3ccc(NC4=NCCN4)cc3)cc2)N1 |t:2,15|
Show InChI InChI=1S/C18H20N6O/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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n/an/an/an/a 1.20E+5n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay


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))
BDBM50223870
PNG
(CHEMBL9441)
Show SMILES CSc1ccc(NC2=NCCN2)cc1 |t:7|
Show InChI InChI=1S/C10H13N3S/c1-14-9-4-2-8(3-5-9)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
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n/an/an/an/a 4.53E+4n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay


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))
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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n/an/an/an/a 5.64E+4n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay


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))
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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n/an/an/an/a 166n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay


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))
BDBM50476636
PNG
(4-Guanidinoaniline Dihydrochloride Salt | CHEMBL12...)
Show SMILES Cl.Cl.CN(C)c1ccc(NC(N)=N)cc1
Show InChI InChI=1S/C9H14N4/c1-13(2)8-5-3-7(4-6-8)12-9(10)11/h3-6H,1-2H3,(H4,10,11,12)
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n/an/an/an/a 1.60E+4n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Antagonist activity at human brain adrenergic alpha-2 receptor assessed as UK-14304-stimulated [35S]GTPgammaS binding at 10 uM


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))
BDBM50476635
PNG
(CHEMBL230644)
Show SMILES COc1ccc(NC2=NCCN2)cc1 |t:7|
Show InChI InChI=1S/C10H13N3O/c1-14-9-4-2-8(3-5-9)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
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n/an/an/an/a 3.04E+4n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay


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))
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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n/an/an/an/a 3.32E+5n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay


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))
BDBM50476632
PNG
(CHEMBL390246)
Show SMILES CN(C)c1ccc(NC2=NCCN2)cc1 |t:8|
Show InChI InChI=1S/C11H16N4/c1-15(2)10-5-3-9(4-6-10)14-11-12-7-8-13-11/h3-6H,7-8H2,1-2H3,(H2,12,13,14)
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n/an/an/an/a 3.55E+5n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Antagonist activity at human brain adrenergic alpha-2 receptor assessed as UK-14304-stimulated [35S]GTPgammaS binding at 10 uM


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))
BDBM50476631
PNG
(CHEMBL230861)
Show SMILES CCN(CC)c1ccc(NC2=NCCN2)cc1 |t:10|
Show InChI InChI=1S/C13H20N4/c1-3-17(4-2)12-7-5-11(6-8-12)16-13-14-9-10-15-13/h5-8H,3-4,9-10H2,1-2H3,(H2,14,15,16)
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n/an/an/an/a 2.76E+3n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay


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))
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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n/an/an/an/a 1.14E+4n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS binding assay


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
3D
3D Structure (crystal)
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50476639
PNG
(CHEMBL243061)
Show SMILES C1CN=C(Nc2ccc3OCOc3c2)N1 |t:2|
Show InChI InChI=1S/C10H11N3O2/c1-2-8-9(15-6-14-8)5-7(1)13-10-11-3-4-12-10/h1-2,5H,3-4,6H2,(H2,11,12,13)
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n/an/an/an/a 1.41E+5n/an/an/an/a



University of Dublin

Curated by ChEMBL


Assay Description
Antagonist activity at human brain adrenergic alpha-2 receptor assessed as UK-14304-stimulated [35S]GTPgammaS binding at 10 uM


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