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PubMed code 17034141

Compile data set for download or QSAR
Found 129 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196109
PNG
((2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrid...)
Show SMILES Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C
Show InChI InChI=1/C25H30N4/c1-18-19(2)26-24-9-4-3-8-23(24)25(18)27-20-10-12-21(13-11-20)29-16-15-28-14-6-5-7-22(28)17-29/h3-4,8-13,22H,5-7,14-17H2,1-2H3,(H,26,27)
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2.30n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196123
PNG
(CHEMBL218675 | {2-methyl-4-[4-(3,3,4-trimethylpipe...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C24H30N4O/c1-17-21(15-29)23(20-7-5-6-8-22(20)25-17)26-18-9-11-19(12-10-18)28-14-13-27(4)24(2,3)16-28/h5-12,29H,13-16H2,1-4H3,(H,25,26)
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3.80n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196117
PNG
(1-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]-2...)
Show SMILES CC(O)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1
Show InChI InChI=1/C24H30N4O/c1-16-15-28(14-13-27(16)4)20-11-9-19(10-12-20)26-24-21-7-5-6-8-22(21)25-17(2)23(24)18(3)29/h5-12,16,18,29H,13-15H2,1-4H3,(H,25,26)
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4.90n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196142
PNG
(CHEMBL218457 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1/C28H30N4/c1-20-19-32(18-17-31(20)3)24-15-13-23(14-16-24)30-28-25-11-7-8-12-26(25)29-21(2)27(28)22-9-5-4-6-10-22/h4-16,20H,17-19H2,1-3H3,(H,29,30)
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5n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196132
PNG
(CHEMBL217203 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
Show InChI InChI=1/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)
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5n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196139
PNG
((3-methylquinolin-4-yl)-[4-(3,3,4-trimethylpiperaz...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4/c1-17-15-24-21-8-6-5-7-20(21)22(17)25-18-9-11-19(12-10-18)27-14-13-26(4)23(2,3)16-27/h5-12,15H,13-14,16H2,1-4H3,(H,24,25)
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5.40n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196107
PNG
(CHEMBL216464 | {7-chloro-4-[4-(3,3,4-trimethylpipe...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C23H27ClN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-12-17(24)4-9-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26)
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5.90n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196118
PNG
(CHEMBL268217 | {4-[4-(3,3,4-trimethylpiperazin-1-y...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4O/c1-23(2)16-27(13-12-26(23)3)19-10-8-18(9-11-19)25-22-17(15-28)14-24-21-7-5-4-6-20(21)22/h4-11,14,28H,12-13,15-16H2,1-3H3,(H,24,25)
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6.40n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196146
PNG
(CHEMBL217177 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
Show InChI InChI=1/C24H30N4/c1-16-7-6-8-22-23(16)25-19(4)18(3)24(22)26-20-9-11-21(12-10-20)28-14-13-27(5)17(2)15-28/h6-12,17H,13-15H2,1-5H3,(H,25,26)
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6.90n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196129
PNG
(CHEMBL214996 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
Show InChI InChI=1/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)25-23-20-6-4-5-7-22(20)24-17(2)21(23)15-28/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)
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7.5n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196145
PNG
((R)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7,...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)/t17-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50418050
PNG
(CHEMBL1689423)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(Cl)ccc23)cc1
Show InChI InChI=1/C23H27ClN4/c1-15-14-28(12-11-27(15)4)20-8-6-19(7-9-20)26-23-16(2)17(3)25-22-13-18(24)5-10-21(22)23/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26)
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8.30n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196125
PNG
((R)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7-...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
Show InChI InChI=1S/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)/t17-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196147
PNG
((3-ethyl-2,8-dimethylquinolin-4-yl)-[4-(4-methyl-[...)
Show SMILES CCc1c(C)nc2c(C)cccc2c1Nc1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C25H32N4/c1-5-22-19(3)26-24-18(2)8-6-9-23(24)25(22)27-20-10-12-21(13-11-20)29-15-7-14-28(4)16-17-29/h6,8-13H,5,7,14-17H2,1-4H3,(H,26,27)
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8.5n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196131
PNG
(CHEMBL217202 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1/C22H26N4/c1-16-14-23-21-7-5-4-6-20(21)22(16)24-18-8-10-19(11-9-18)26-13-12-25(3)17(2)15-26/h4-11,14,17H,12-13,15H2,1-3H3,(H,23,24)
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8.5n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196126
PNG
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(CO)nc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)24-23-17(2)22(15-28)25-21-7-5-4-6-20(21)23/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)/t16-/m1/s1
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9n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196116
PNG
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
Show InChI InChI=1S/C22H26N4O/c1-16-14-26(12-11-25(16)2)19-9-7-18(8-10-19)24-22-17(15-27)13-23-21-6-4-3-5-20(21)22/h3-10,13,16,27H,11-12,14-15H2,1-2H3,(H,23,24)/t16-/m1/s1
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9.20n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196113
PNG
(CHEMBL262901 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
Show InChI InChI=1/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)
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15n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196120
PNG
(CHEMBL216727 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3ccc(F)cc23)cc1
Show InChI InChI=1/C23H27FN4/c1-15-14-28(12-11-27(15)4)20-8-6-19(7-9-20)26-23-16(2)17(3)25-22-10-5-18(24)13-21(22)23/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26)
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16n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196136
PNG
((3-ethyl-2-methylquinolin-4-yl)-[4-(4-methylpipera...)
Show SMILES CCc1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H28N4/c1-4-20-17(2)24-22-8-6-5-7-21(22)23(20)25-18-9-11-19(12-10-18)27-15-13-26(3)14-16-27/h5-12H,4,13-16H2,1-3H3,(H,24,25)
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25n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196135
PNG
(Acridin-9-yl-[4-(4-methyl-piperazin-1-yl)-phenyl]-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)
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28n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196141
PNG
((2,3-dimethylquinolin-4-yl)-[4-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(C)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C22H26N4/c1-16-17(2)23-21-7-5-4-6-20(21)22(16)24-18-8-10-19(11-9-18)26-14-12-25(3)13-15-26/h4-11H,12-15H2,1-3H3,(H,23,24)
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35n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196128
PNG
((3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C28H30N4/c1-21-26(20-22-8-4-3-5-9-22)28(25-10-6-7-11-27(25)29-21)30-23-12-14-24(15-13-23)32-18-16-31(2)17-19-32/h3-15H,16-20H2,1-2H3,(H,29,30)
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35n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196130
PNG
((2-methyl-3-phenylquinolin-4-yl)-[4-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C27H28N4/c1-20-26(21-8-4-3-5-9-21)27(24-10-6-7-11-25(24)28-20)29-22-12-14-23(15-13-22)31-18-16-30(2)17-19-31/h3-15H,16-19H2,1-2H3,(H,28,29)
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35n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196122
PNG
(CHEMBL217366 | GNF-PF-3878 | N-(4-(4-ethylpiperazi...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C25H26N4/c1-2-28-15-17-29(18-16-28)20-13-11-19(12-14-20)26-25-21-7-3-5-9-23(21)27-24-10-6-4-8-22(24)25/h3-14H,2,15-18H2,1H3,(H,26,27)
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37n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196127
PNG
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C22H25FN4O/c1-15-13-27(10-9-26(15)2)19-6-4-18(5-7-19)25-22-16(14-28)12-24-21-8-3-17(23)11-20(21)22/h3-8,11-12,15,28H,9-10,13-14H2,1-2H3,(H,24,25)/t15-/m1/s1
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38n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196115
PNG
(CHEMBL276417 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
Show InChI InChI=1/C22H25FN4O/c1-15-13-27(10-9-26(15)2)19-6-4-18(5-7-19)25-22-16(14-28)12-24-21-8-3-17(23)11-20(21)22/h3-8,11-12,15,28H,9-10,13-14H2,1-2H3,(H,24,25)
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43n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196108
PNG
(CHEMBL424917 | {6-fluoro-4-[4-(3,3,4-trimethylpipe...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C23H27FN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-9-4-17(24)12-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26)
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50n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196119
PNG
((3-isopropyl-2-methylquinolin-4-yl)-[4-(4-methylpi...)
Show SMILES CC(C)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H30N4/c1-17(2)23-18(3)25-22-8-6-5-7-21(22)24(23)26-19-9-11-20(12-10-19)28-15-13-27(4)14-16-28/h5-12,17H,13-16H2,1-4H3,(H,25,26)
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52n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196140
PNG
((S)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7-...)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
Show InChI InChI=1S/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)/t17-/m0/s1
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76n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196106
PNG
(CHEMBL216197 | N-(2-diethylaminoethyl)-N'-(3-ethyl...)
Show SMILES CCN(CC)CCNc1ccc(Nc2c(CC)c(C)nc3c(C)cccc23)cc1
Show InChI InChI=1S/C25H34N4/c1-6-22-19(5)27-24-18(4)10-9-11-23(24)25(22)28-21-14-12-20(13-15-21)26-16-17-29(7-2)8-3/h9-15,26H,6-8,16-17H2,1-5H3,(H,27,28)
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82n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196124
PNG
((S)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7,...)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)/t17-/m0/s1
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84n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196121
PNG
(CHEMBL217452 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(C)c23)cc1
Show InChI InChI=1/C24H30N4/c1-16-7-6-8-22-23(16)24(18(3)19(4)25-22)26-20-9-11-21(12-10-20)28-14-13-27(5)17(2)15-28/h6-12,17H,13-15H2,1-5H3,(H,25,26)
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87n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196128
PNG
((3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C28H30N4/c1-21-26(20-22-8-4-3-5-9-22)28(25-10-6-7-11-27(25)29-21)30-23-12-14-24(15-13-23)32-18-16-31(2)17-19-32/h3-15H,16-20H2,1-2H3,(H,29,30)
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96n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196114
PNG
(CHEMBL440594 | N-(2,3-dimethylquinolin-4-yl)-N'-(2...)
Show SMILES Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C
Show InChI InChI=1S/C23H28N4/c1-17-18(2)25-22-8-4-3-7-21(22)23(17)26-20-11-9-19(10-12-20)24-13-16-27-14-5-6-15-27/h3-4,7-12,24H,5-6,13-16H2,1-2H3,(H,25,26)
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100n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196143
PNG
(4-(3,4-dimethylpiperazin-1-yl)phenyl]-(3-ethyl-2-m...)
Show SMILES CCc1c(C)nc2CCCCc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1
Show InChI InChI=1/C24H34N4/c1-5-21-18(3)25-23-9-7-6-8-22(23)24(21)26-19-10-12-20(13-11-19)28-15-14-27(4)17(2)16-28/h10-13,17H,5-9,14-16H2,1-4H3,(H,25,26)
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110n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196148
PNG
(CHEMBL218730 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1
Show InChI InChI=1/C25H32N4/c1-16-13-17(2)24-23(14-16)26-20(5)19(4)25(24)27-21-7-9-22(10-8-21)29-12-11-28(6)18(3)15-29/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,26,27)
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132n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196138
PNG
((5-chloro-2,3-dimethylquinolin-4-yl)-[4-(3,4-dimet...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(Cl)c23)cc1
Show InChI InChI=1/C23H27ClN4/c1-15-14-28(13-12-27(15)4)19-10-8-18(9-11-19)26-23-16(2)17(3)25-21-7-5-6-20(24)22(21)23/h5-11,15H,12-14H2,1-4H3,(H,25,26)
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135n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196134
PNG
((R)-{4-[4-(3-methylpiperazin-1-yl)phenylamino]quin...)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
Show InChI InChI=1S/C21H24N4O/c1-15-13-25(11-10-22-15)18-8-6-17(7-9-18)24-21-16(14-26)12-23-20-5-3-2-4-19(20)21/h2-9,12,15,22,26H,10-11,13-14H2,1H3,(H,23,24)/t15-/m1/s1
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205n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196112
PNG
(CHEMBL384318 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)ccc(C)c23)cc1
Show InChI InChI=1/C25H32N4/c1-16-7-8-17(2)24-23(16)25(19(4)20(5)26-24)27-21-9-11-22(12-10-21)29-14-13-28(6)18(3)15-29/h7-12,18H,13-15H2,1-6H3,(H,26,27)
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390n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196107
PNG
(CHEMBL216464 | {7-chloro-4-[4-(3,3,4-trimethylpipe...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C23H27ClN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-12-17(24)4-9-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26)
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420n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196137
PNG
(CHEMBL216399 | [4-(4-methylpiperazin-1-yl)phenyl]-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C21H24N4/c1-16-15-21(19-5-3-4-6-20(19)22-16)23-17-7-9-18(10-8-17)25-13-11-24(2)12-14-25/h3-10,15H,11-14H2,1-2H3,(H,22,23)
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500n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196132
PNG
(CHEMBL217203 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
Show InChI InChI=1/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)
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580n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196128
PNG
((3-benzyl-2-methylquinolin-4-yl)-[4-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(Cc3ccccc3)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C28H30N4/c1-21-26(20-22-8-4-3-5-9-22)28(25-10-6-7-11-27(25)29-21)30-23-12-14-24(15-13-23)32-18-16-31(2)17-19-32/h3-15H,16-20H2,1-2H3,(H,29,30)
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580n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196145
PNG
((R)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7,...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)/t17-/m1/s1
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600n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196143
PNG
(4-(3,4-dimethylpiperazin-1-yl)phenyl]-(3-ethyl-2-m...)
Show SMILES CCc1c(C)nc2CCCCc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1
Show InChI InChI=1/C24H34N4/c1-5-21-18(3)25-23-9-7-6-8-22(23)24(21)26-19-10-12-20(13-11-19)28-15-14-27(4)17(2)16-28/h10-13,17H,5-9,14-16H2,1-4H3,(H,25,26)
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630n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196148
PNG
(CHEMBL218730 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1
Show InChI InChI=1/C25H32N4/c1-16-13-17(2)24-23(14-16)26-20(5)19(4)25(24)27-21-7-9-22(10-8-21)29-12-11-28(6)18(3)15-29/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,26,27)
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650n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196121
PNG
(CHEMBL217452 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(C)c23)cc1
Show InChI InChI=1/C24H30N4/c1-16-7-6-8-22-23(16)24(18(3)19(4)25-22)26-20-9-11-21(12-10-20)28-14-13-27(5)17(2)15-28/h6-12,17H,13-15H2,1-5H3,(H,25,26)
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680n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196137
PNG
(CHEMBL216399 | [4-(4-methylpiperazin-1-yl)phenyl]-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C21H24N4/c1-16-15-21(19-5-3-4-6-20(19)22-16)23-17-7-9-18(10-8-17)25-13-11-24(2)12-14-25/h3-10,15H,11-14H2,1-2H3,(H,22,23)
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690n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196109
PNG
((2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrid...)
Show SMILES Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C
Show InChI InChI=1/C25H30N4/c1-18-19(2)26-24-9-4-3-8-23(24)25(18)27-20-10-12-21(13-11-20)29-16-15-28-14-6-5-7-22(28)17-29/h3-4,8-13,22H,5-7,14-17H2,1-2H3,(H,26,27)
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715n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196110
PNG
(CHEMBL217665 | GNF-PF-2857 | N-(4-(4-methylpiperaz...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C20H22N4/c1-23-12-14-24(15-13-23)17-8-6-16(7-9-17)22-20-10-11-21-19-5-3-2-4-18(19)20/h2-11H,12-15H2,1H3,(H,21,22)
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720n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196111
PNG
(4-(3-methyltetrahydropyrimidin-1(2H)-yl)phenyl]-(2...)
Show SMILES CN1CCCN(C1)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
Show InChI InChI=1S/C23H28N4/c1-16-7-5-8-21-22(16)24-18(3)17(2)23(21)25-19-9-11-20(12-10-19)27-14-6-13-26(4)15-27/h5,7-12H,6,13-15H2,1-4H3,(H,24,25)
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770n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196138
PNG
((5-chloro-2,3-dimethylquinolin-4-yl)-[4-(3,4-dimet...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(Cl)c23)cc1
Show InChI InChI=1/C23H27ClN4/c1-15-14-28(13-12-27(15)4)19-10-8-18(9-11-19)26-23-16(2)17(3)25-21-7-5-6-20(24)22(21)23/h5-11,15H,12-14H2,1-4H3,(H,25,26)
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775n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196145
PNG
((R)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7,...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)/t17-/m1/s1
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790n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196113
PNG
(CHEMBL262901 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
Show InChI InChI=1/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)
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840n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196124
PNG
((S)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7,...)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)/t17-/m0/s1
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850n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50418050
PNG
(CHEMBL1689423)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(Cl)ccc23)cc1
Show InChI InChI=1/C23H27ClN4/c1-15-14-28(12-11-27(15)4)20-8-6-19(7-9-20)26-23-16(2)17(3)25-22-13-18(24)5-10-21(22)23/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26)
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880n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196139
PNG
((3-methylquinolin-4-yl)-[4-(3,3,4-trimethylpiperaz...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4/c1-17-15-24-21-8-6-5-7-20(21)22(17)25-18-9-11-19(12-10-18)27-14-13-26(4)23(2,3)16-27/h5-12,15H,13-14,16H2,1-4H3,(H,24,25)
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895n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196106
PNG
(CHEMBL216197 | N-(2-diethylaminoethyl)-N'-(3-ethyl...)
Show SMILES CCN(CC)CCNc1ccc(Nc2c(CC)c(C)nc3c(C)cccc23)cc1
Show InChI InChI=1S/C25H34N4/c1-6-22-19(5)27-24-18(4)10-9-11-23(24)25(22)28-21-14-12-20(13-15-21)26-16-17-29(7-2)8-3/h9-15,26H,6-8,16-17H2,1-5H3,(H,27,28)
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900n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196148
PNG
(CHEMBL218730 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)cc(C)c23)cc1
Show InChI InChI=1/C25H32N4/c1-16-13-17(2)24-23(14-16)26-20(5)19(4)25(24)27-21-7-9-22(10-8-21)29-12-11-28(6)18(3)15-29/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,26,27)
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910n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196125
PNG
((R)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7-...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
Show InChI InChI=1S/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)/t17-/m1/s1
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910n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196107
PNG
(CHEMBL216464 | {7-chloro-4-[4-(3,3,4-trimethylpipe...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C23H27ClN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-12-17(24)4-9-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26)
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960n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196127
PNG
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C22H25FN4O/c1-15-13-27(10-9-26(15)2)19-6-4-18(5-7-19)25-22-16(14-28)12-24-21-8-3-17(23)11-20(21)22/h3-8,11-12,15,28H,9-10,13-14H2,1-2H3,(H,24,25)/t15-/m1/s1
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980n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196114
PNG
(CHEMBL440594 | N-(2,3-dimethylquinolin-4-yl)-N'-(2...)
Show SMILES Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C
Show InChI InChI=1S/C23H28N4/c1-17-18(2)25-22-8-4-3-7-21(22)23(17)26-20-11-9-19(10-12-20)24-13-16-27-14-5-6-15-27/h3-4,7-12,24H,5-6,13-16H2,1-2H3,(H,25,26)
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1.00E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196140
PNG
((S)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7-...)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
Show InChI InChI=1S/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)/t17-/m0/s1
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1.05E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196136
PNG
((3-ethyl-2-methylquinolin-4-yl)-[4-(4-methylpipera...)
Show SMILES CCc1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H28N4/c1-4-20-17(2)24-22-8-6-5-7-21(22)23(20)25-18-9-11-19(12-10-18)27-15-13-26(3)14-16-27/h5-12H,4,13-16H2,1-3H3,(H,24,25)
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1.10E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196146
PNG
(CHEMBL217177 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
Show InChI InChI=1/C24H30N4/c1-16-7-6-8-22-23(16)25-19(4)18(3)24(22)26-20-9-11-21(12-10-20)28-14-13-27(5)17(2)15-28/h6-12,17H,13-15H2,1-5H3,(H,25,26)
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1.10E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196138
PNG
((5-chloro-2,3-dimethylquinolin-4-yl)-[4-(3,4-dimet...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(Cl)c23)cc1
Show InChI InChI=1/C23H27ClN4/c1-15-14-28(13-12-27(15)4)19-10-8-18(9-11-19)26-23-16(2)17(3)25-21-7-5-6-20(24)22(21)23/h5-11,15H,12-14H2,1-4H3,(H,25,26)
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1.12E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196125
PNG
((R)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7-...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
Show InChI InChI=1S/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)/t17-/m1/s1
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1.15E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196123
PNG
(CHEMBL218675 | {2-methyl-4-[4-(3,3,4-trimethylpipe...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C24H30N4O/c1-17-21(15-29)23(20-7-5-6-8-22(20)25-17)26-18-9-11-19(12-10-18)28-14-13-27(4)24(2,3)16-28/h5-12,29H,13-16H2,1-4H3,(H,25,26)
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1.17E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196122
PNG
(CHEMBL217366 | GNF-PF-3878 | N-(4-(4-ethylpiperazi...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C25H26N4/c1-2-28-15-17-29(18-16-28)20-13-11-19(12-14-20)26-25-21-7-3-5-9-23(21)27-24-10-6-4-8-22(24)25/h3-14H,2,15-18H2,1H3,(H,26,27)
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1.20E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196120
PNG
(CHEMBL216727 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3ccc(F)cc23)cc1
Show InChI InChI=1/C23H27FN4/c1-15-14-28(12-11-27(15)4)20-8-6-19(7-9-20)26-23-16(2)17(3)25-22-10-5-18(24)13-21(22)23/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26)
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1.23E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196139
PNG
((3-methylquinolin-4-yl)-[4-(3,3,4-trimethylpiperaz...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4/c1-17-15-24-21-8-6-5-7-20(21)22(17)25-18-9-11-19(12-10-18)27-14-13-26(4)23(2,3)16-27/h5-12,15H,13-14,16H2,1-4H3,(H,24,25)
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1.27E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196113
PNG
(CHEMBL262901 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
Show InChI InChI=1/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)
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1.28E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196108
PNG
(CHEMBL424917 | {6-fluoro-4-[4-(3,3,4-trimethylpipe...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C23H27FN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-9-4-17(24)12-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26)
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1.32E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196124
PNG
((S)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7,...)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)/t17-/m0/s1
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1.32E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196109
PNG
((2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrid...)
Show SMILES Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C
Show InChI InChI=1/C25H30N4/c1-18-19(2)26-24-9-4-3-8-23(24)25(18)27-20-10-12-21(13-11-20)29-16-15-28-14-6-5-7-22(28)17-29/h3-4,8-13,22H,5-7,14-17H2,1-2H3,(H,26,27)
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1.33E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196115
PNG
(CHEMBL276417 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
Show InChI InChI=1/C22H25FN4O/c1-15-13-27(10-9-26(15)2)19-6-4-18(5-7-19)25-22-16(14-28)12-24-21-8-3-17(23)11-20(21)22/h3-8,11-12,15,28H,9-10,13-14H2,1-2H3,(H,24,25)
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1.38E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196142
PNG
(CHEMBL218457 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1/C28H30N4/c1-20-19-32(18-17-31(20)3)24-15-13-23(14-16-24)30-28-25-11-7-8-12-26(25)29-21(2)27(28)22-9-5-4-6-10-22/h4-16,20H,17-19H2,1-3H3,(H,29,30)
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1.40E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196131
PNG
(CHEMBL217202 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1/C22H26N4/c1-16-14-23-21-7-5-4-6-20(21)22(16)24-18-8-10-19(11-9-18)26-13-12-25(3)17(2)15-26/h4-11,14,17H,12-13,15H2,1-3H3,(H,23,24)
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1.40E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50418050
PNG
(CHEMBL1689423)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(Cl)ccc23)cc1
Show InChI InChI=1/C23H27ClN4/c1-15-14-28(12-11-27(15)4)20-8-6-19(7-9-20)26-23-16(2)17(3)25-22-13-18(24)5-10-21(22)23/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26)
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1.43E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196123
PNG
(CHEMBL218675 | {2-methyl-4-[4-(3,3,4-trimethylpipe...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C24H30N4O/c1-17-21(15-29)23(20-7-5-6-8-22(20)25-17)26-18-9-11-19(12-10-18)28-14-13-27(4)24(2,3)16-28/h5-12,29H,13-16H2,1-4H3,(H,25,26)
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1.47E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196135
PNG
(Acridin-9-yl-[4-(4-methyl-piperazin-1-yl)-phenyl]-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)
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1.50E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196114
PNG
(CHEMBL440594 | N-(2,3-dimethylquinolin-4-yl)-N'-(2...)
Show SMILES Cc1nc2ccccc2c(Nc2ccc(NCCN3CCCC3)cc2)c1C
Show InChI InChI=1S/C23H28N4/c1-17-18(2)25-22-8-4-3-7-21(22)23(17)26-20-11-9-19(10-12-20)24-13-16-27-14-5-6-15-27/h3-4,7-12,24H,5-6,13-16H2,1-2H3,(H,25,26)
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1.68E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196119
PNG
((3-isopropyl-2-methylquinolin-4-yl)-[4-(4-methylpi...)
Show SMILES CC(C)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H30N4/c1-17(2)23-18(3)25-22-8-6-5-7-21(22)24(23)26-19-9-11-20(12-10-19)28-15-13-27(4)14-16-28/h5-12,17H,13-16H2,1-4H3,(H,25,26)
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1.70E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196130
PNG
((2-methyl-3-phenylquinolin-4-yl)-[4-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C27H28N4/c1-20-26(21-8-4-3-5-9-21)27(24-10-6-7-11-25(24)28-20)29-22-12-14-23(15-13-22)31-18-16-30(2)17-19-31/h3-15H,16-19H2,1-2H3,(H,28,29)
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1.70E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196110
PNG
(CHEMBL217665 | GNF-PF-2857 | N-(4-(4-methylpiperaz...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C20H22N4/c1-23-12-14-24(15-13-23)17-8-6-16(7-9-17)22-20-10-11-21-19-5-3-2-4-18(19)20/h2-11H,12-15H2,1H3,(H,21,22)
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1.70E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196142
PNG
(CHEMBL218457 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1/C28H30N4/c1-20-19-32(18-17-31(20)3)24-15-13-23(14-16-24)30-28-25-11-7-8-12-26(25)29-21(2)27(28)22-9-5-4-6-10-22/h4-16,20H,17-19H2,1-3H3,(H,29,30)
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1.70E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196108
PNG
(CHEMBL424917 | {6-fluoro-4-[4-(3,3,4-trimethylpipe...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C23H27FN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-9-4-17(24)12-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26)
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1.75E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196126
PNG
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(CO)nc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)24-23-17(2)22(15-28)25-21-7-5-4-6-20(21)23/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)/t16-/m1/s1
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1.80E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196118
PNG
(CHEMBL268217 | {4-[4-(3,3,4-trimethylpiperazin-1-y...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4O/c1-23(2)16-27(13-12-26(23)3)19-10-8-18(9-11-19)25-22-17(15-28)14-24-21-7-5-4-6-20(21)22/h4-11,14,28H,12-13,15-16H2,1-3H3,(H,24,25)
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1.85E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196132
PNG
(CHEMBL217203 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
Show InChI InChI=1/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)
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1.85E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196126
PNG
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(CO)nc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)24-23-17(2)22(15-28)25-21-7-5-4-6-20(21)23/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)/t16-/m1/s1
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1.87E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196118
PNG
(CHEMBL268217 | {4-[4-(3,3,4-trimethylpiperazin-1-y...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4O/c1-23(2)16-27(13-12-26(23)3)19-10-8-18(9-11-19)25-22-17(15-28)14-24-21-7-5-4-6-20(21)22/h4-11,14,28H,12-13,15-16H2,1-3H3,(H,24,25)
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1.90E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196146
PNG
(CHEMBL217177 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
Show InChI InChI=1/C24H30N4/c1-16-7-6-8-22-23(16)25-19(4)18(3)24(22)26-20-9-11-21(12-10-20)28-14-13-27(5)17(2)15-28/h6-12,17H,13-15H2,1-5H3,(H,25,26)
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1.90E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196121
PNG
(CHEMBL217452 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cccc(C)c23)cc1
Show InChI InChI=1/C24H30N4/c1-16-7-6-8-22-23(16)24(18(3)19(4)25-22)26-20-9-11-21(12-10-20)28-14-13-27(5)17(2)15-28/h6-12,17H,13-15H2,1-5H3,(H,25,26)
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2.03E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196116
PNG
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
Show InChI InChI=1S/C22H26N4O/c1-16-14-26(12-11-25(16)2)19-9-7-18(8-10-19)24-22-17(15-27)13-23-21-6-4-3-5-20(21)22/h3-10,13,16,27H,11-12,14-15H2,1-2H3,(H,23,24)/t16-/m1/s1
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2.20E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196141
PNG
((2,3-dimethylquinolin-4-yl)-[4-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(C)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C22H26N4/c1-16-17(2)23-21-7-5-4-6-20(21)22(16)24-18-8-10-19(11-9-18)26-14-12-25(3)13-15-26/h4-11H,12-15H2,1-3H3,(H,23,24)
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2.21E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196112
PNG
(CHEMBL384318 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)ccc(C)c23)cc1
Show InChI InChI=1/C25H32N4/c1-16-7-8-17(2)24-23(16)25(19(4)20(5)26-24)27-21-9-11-22(12-10-21)29-14-13-28(6)18(3)15-29/h7-12,18H,13-15H2,1-6H3,(H,26,27)
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2.30E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196111
PNG
(4-(3-methyltetrahydropyrimidin-1(2H)-yl)phenyl]-(2...)
Show SMILES CN1CCCN(C1)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
Show InChI InChI=1S/C23H28N4/c1-16-7-5-8-21-22(16)24-18(3)17(2)23(21)25-19-9-11-20(12-10-19)27-14-6-13-26(4)15-27/h5,7-12H,6,13-15H2,1-4H3,(H,24,25)
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2.50E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196147
PNG
((3-ethyl-2,8-dimethylquinolin-4-yl)-[4-(4-methyl-[...)
Show SMILES CCc1c(C)nc2c(C)cccc2c1Nc1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C25H32N4/c1-5-22-19(3)26-24-18(2)8-6-9-23(24)25(22)27-20-10-12-21(13-11-20)29-15-7-14-28(4)16-17-29/h6,8-13H,5,7,14-17H2,1-4H3,(H,26,27)
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2.60E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196140
PNG
((S)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7-...)
Show SMILES C[C@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
Show InChI InChI=1S/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)/t17-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196116
PNG
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
Show InChI InChI=1S/C22H26N4O/c1-16-14-26(12-11-25(16)2)19-9-7-18(8-10-19)24-22-17(15-27)13-23-21-6-4-3-5-20(21)22/h3-10,13,16,27H,11-12,14-15H2,1-2H3,(H,23,24)/t16-/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196106
PNG
(CHEMBL216197 | N-(2-diethylaminoethyl)-N'-(3-ethyl...)
Show SMILES CCN(CC)CCNc1ccc(Nc2c(CC)c(C)nc3c(C)cccc23)cc1
Show InChI InChI=1S/C25H34N4/c1-6-22-19(5)27-24-18(4)10-9-11-23(24)25(22)28-21-14-12-20(13-15-21)26-16-17-29(7-2)8-3/h9-15,26H,6-8,16-17H2,1-5H3,(H,27,28)
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2.90E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196143
PNG
(4-(3,4-dimethylpiperazin-1-yl)phenyl]-(3-ethyl-2-m...)
Show SMILES CCc1c(C)nc2CCCCc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1
Show InChI InChI=1/C24H34N4/c1-5-21-18(3)25-23-9-7-6-8-22(23)24(21)26-19-10-12-20(13-11-19)28-15-14-27(4)17(2)16-28/h10-13,17H,5-9,14-16H2,1-4H3,(H,25,26)
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2.98E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196117
PNG
(1-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]-2...)
Show SMILES CC(O)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1
Show InChI InChI=1/C24H30N4O/c1-16-15-28(14-13-27(16)4)20-11-9-19(10-12-20)26-24-21-7-5-6-8-22(21)25-17(2)23(24)18(3)29/h5-12,16,18,29H,13-15H2,1-4H3,(H,25,26)
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3.10E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196129
PNG
(CHEMBL214996 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
Show InChI InChI=1/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)25-23-20-6-4-5-7-22(20)24-17(2)21(23)15-28/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)
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3.10E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196127
PNG
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
Show InChI InChI=1S/C22H25FN4O/c1-15-13-27(10-9-26(15)2)19-6-4-18(5-7-19)25-22-16(14-28)12-24-21-8-3-17(23)11-20(21)22/h3-8,11-12,15,28H,9-10,13-14H2,1-2H3,(H,24,25)/t15-/m1/s1
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3.15E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196135
PNG
(Acridin-9-yl-[4-(4-methyl-piperazin-1-yl)-phenyl]-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)
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3.20E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196120
PNG
(CHEMBL216727 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3ccc(F)cc23)cc1
Show InChI InChI=1/C23H27FN4/c1-15-14-28(12-11-27(15)4)20-8-6-19(7-9-20)26-23-16(2)17(3)25-22-10-5-18(24)13-21(22)23/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26)
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3.47E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196131
PNG
(CHEMBL217202 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1/C22H26N4/c1-16-14-23-21-7-5-4-6-20(21)22(16)24-18-8-10-19(11-9-18)26-13-12-25(3)17(2)15-26/h4-11,14,17H,12-13,15H2,1-3H3,(H,23,24)
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3.50E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196122
PNG
(CHEMBL217366 | GNF-PF-3878 | N-(4-(4-ethylpiperazi...)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C25H26N4/c1-2-28-15-17-29(18-16-28)20-13-11-19(12-14-20)26-25-21-7-3-5-9-23(21)27-24-10-6-4-8-22(24)25/h3-14H,2,15-18H2,1H3,(H,26,27)
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3.60E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196133
PNG
((3,5-dimethyl-pyridin-4-yl)-[4-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1
Show InChI InChI=1S/C18H24N4/c1-14-12-19-13-15(2)18(14)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
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3.60E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196112
PNG
(CHEMBL384318 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)ccc(C)c23)cc1
Show InChI InChI=1/C25H32N4/c1-16-7-8-17(2)24-23(16)25(19(4)20(5)26-24)27-21-9-11-22(12-10-21)29-14-13-28(6)18(3)15-29/h7-12,18H,13-15H2,1-6H3,(H,26,27)
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3.60E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196137
PNG
(CHEMBL216399 | [4-(4-methylpiperazin-1-yl)phenyl]-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(C)nc3ccccc23)cc1
Show InChI InChI=1S/C21H24N4/c1-16-15-21(19-5-3-4-6-20(19)22-16)23-17-7-9-18(10-8-17)25-13-11-24(2)12-14-25/h3-10,15H,11-14H2,1-2H3,(H,22,23)
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3.70E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196110
PNG
(CHEMBL217665 | GNF-PF-2857 | N-(4-(4-methylpiperaz...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C20H22N4/c1-23-12-14-24(15-13-23)17-8-6-16(7-9-17)22-20-10-11-21-19-5-3-2-4-18(19)20/h2-11H,12-15H2,1H3,(H,21,22)
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3.80E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196119
PNG
((3-isopropyl-2-methylquinolin-4-yl)-[4-(4-methylpi...)
Show SMILES CC(C)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C24H30N4/c1-17(2)23-18(3)25-22-8-6-5-7-21(22)24(23)26-19-9-11-20(12-10-19)28-15-13-27(4)14-16-28/h5-12,17H,13-16H2,1-4H3,(H,25,26)
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3.90E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50196133
PNG
((3,5-dimethyl-pyridin-4-yl)-[4-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1
Show InChI InChI=1S/C18H24N4/c1-14-12-19-13-15(2)18(14)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
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>5.00E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196141
PNG
((2,3-dimethylquinolin-4-yl)-[4-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(C)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C22H26N4/c1-16-17(2)23-21-7-5-4-6-20(21)22(16)24-18-8-10-19(11-9-18)26-14-12-25(3)13-15-26/h4-11H,12-15H2,1-3H3,(H,23,24)
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>5.00E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196117
PNG
(1-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]-2...)
Show SMILES CC(O)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1
Show InChI InChI=1/C24H30N4O/c1-16-15-28(14-13-27(16)4)20-11-9-19(10-12-20)26-24-21-7-5-6-8-22(21)25-17(2)23(24)18(3)29/h5-12,16,18,29H,13-15H2,1-4H3,(H,25,26)
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5.10E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196147
PNG
((3-ethyl-2,8-dimethylquinolin-4-yl)-[4-(4-methyl-[...)
Show SMILES CCc1c(C)nc2c(C)cccc2c1Nc1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C25H32N4/c1-5-22-19(3)26-24-18(2)8-6-9-23(24)25(22)27-20-10-12-21(13-11-20)29-15-7-14-28(4)16-17-29/h6,8-13H,5,7,14-17H2,1-4H3,(H,26,27)
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8.00E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196134
PNG
((R)-{4-[4-(3-methylpiperazin-1-yl)phenylamino]quin...)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
Show InChI InChI=1S/C21H24N4O/c1-15-13-25(11-10-22-15)18-8-6-17(7-9-18)24-21-16(14-26)12-23-20-5-3-2-4-19(20)21/h2-9,12,15,22,26H,10-11,13-14H2,1H3,(H,23,24)/t15-/m1/s1
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9.60E+3n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196129
PNG
(CHEMBL214996 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
Show InChI InChI=1/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)25-23-20-6-4-5-7-22(20)24-17(2)21(23)15-28/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196115
PNG
(CHEMBL276417 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccc(F)cc23)cc1
Show InChI InChI=1/C22H25FN4O/c1-15-13-27(10-9-26(15)2)19-6-4-18(5-7-19)25-22-16(14-28)12-24-21-8-3-17(23)11-20(21)22/h3-8,11-12,15,28H,9-10,13-14H2,1-2H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196136
PNG
((3-ethyl-2-methylquinolin-4-yl)-[4-(4-methylpipera...)
Show SMILES CCc1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H28N4/c1-4-20-17(2)24-22-8-6-5-7-21(22)23(20)25-18-9-11-19(12-10-18)27-15-13-26(3)14-16-27/h5-12H,4,13-16H2,1-3H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50196111
PNG
(4-(3-methyltetrahydropyrimidin-1(2H)-yl)phenyl]-(2...)
Show SMILES CN1CCCN(C1)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
Show InChI InChI=1S/C23H28N4/c1-16-7-5-8-21-22(16)24-18(3)17(2)23(21)25-19-9-11-20(12-10-19)27-14-6-13-26(4)15-27/h5,7-12H,6,13-15H2,1-4H3,(H,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196130
PNG
((2-methyl-3-phenylquinolin-4-yl)-[4-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C27H28N4/c1-20-26(21-8-4-3-5-9-21)27(24-10-6-7-11-25(24)28-20)29-22-12-14-23(15-13-22)31-18-16-30(2)17-19-31/h3-15H,16-19H2,1-2H3,(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196134
PNG
((R)-{4-[4-(3-methylpiperazin-1-yl)phenylamino]quin...)
Show SMILES C[C@@H]1CN(CCN1)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
Show InChI InChI=1S/C21H24N4O/c1-15-13-25(11-10-22-15)18-8-6-17(7-9-18)24-21-16(14-26)12-23-20-5-3-2-4-19(20)21/h2-9,12,15,22,26H,10-11,13-14H2,1H3,(H,23,24)/t15-/m1/s1
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1.76E+4n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50196133
PNG
((3,5-dimethyl-pyridin-4-yl)-[4-(4-methylpiperazin-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c(C)cncc2C)cc1
Show InChI InChI=1S/C18H24N4/c1-14-12-19-13-15(2)18(14)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)
UniProtKB/SwissProt

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UniChem
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>3.00E+4n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells


J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%