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13 similar compounds to monomer 50196123

Compile data set for download or QSAR
Wt: 388.5
BDBM50196112
Wt: 374.5
BDBM50196113
Wt: 362.4
BDBM50196116
Wt: 390.5
BDBM50196117
Wt: 376.4
BDBM50196118
Wt: 374.5
BDBM50196121
Wt: 374.5
BDBM50196125
Wt: 376.4
BDBM50196126
Wt: 376.4
BDBM50196129
Wt: 348.4
BDBM50196134
Wt: 374.5
BDBM50196140
Wt: 374.5
BDBM50196146
Wt: 388.5
BDBM50196148

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 52 hits for monomerid = 50196112,50196113,50196116,50196117,50196118,50196121,50196125,50196126,50196129,50196134,50196140,50196146,50196148   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-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=1S/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))
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=1S/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



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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))
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



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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=1S/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



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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=1S/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=1S/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))
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=1S/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



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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))
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



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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))
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



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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=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)
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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))
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=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)
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15n/an/an/an/an/an/an/an/a



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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))
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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76.0n/an/an/an/an/an/an/an/a



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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=1S/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-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=1S/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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87.1n/an/an/an/an/an/an/an/a



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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=1S/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))
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=1S/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



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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))
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



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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=1S/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



Institute of Chemistry Timisoara of the Romanian Academy

Curated by ChEMBL


Assay Description
Binding affinity to human cloned Alpha-2C adrenergic receptor


Eur J Med Chem 46: 877-84 (2011)


Article DOI: 10.1016/j.ejmech.2010.12.026
BindingDB Entry DOI: 10.7270/Q2474C44
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=1S/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-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=1S/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=1S/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-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=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)
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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-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=1S/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))
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-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=1S/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))
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-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=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)
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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-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))
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=1S/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=1S/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))
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=1S/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))
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))
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-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=1S/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=1S/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))
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=1S/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))
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=1S/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))
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
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