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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'pohjanoksa' and Initial = 'k'   
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=1S/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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50019646
PNG
(2-(alpha-(2,6-Dichlorophenoxy)ethyl)2-imidazoline ...)
Show SMILES CC(Oc1c(Cl)cccc1Cl)C1=NCCN1
Show InChI InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
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4.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
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



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=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)
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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))
BDBM50196142
PNG
(CHEMBL218457 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/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))
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=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))
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))
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))
BDBM50418050
PNG
(CHEMBL1689423)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/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))
BDBM50196131
PNG
(CHEMBL217202 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1S/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))
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))
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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419889
PNG
(CHEMBL155866)
Show SMILES CC(Oc1c(C)cccc1C)C1=NCCN1
Show InChI InChI=1S/C13H18N2O/c1-9-5-4-6-10(2)12(9)16-11(3)13-14-7-8-15-13/h4-6,11H,7-8H2,1-3H3,(H,14,15)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
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))
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=1S/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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419885
PNG
(CHEMBL157206)
Show SMILES CC(Oc1c(CC=C)cccc1CC=C)C1=NCCN1
Show InChI InChI=1S/C17H22N2O/c1-4-7-14-9-6-10-15(8-5-2)16(14)20-13(3)17-18-11-12-19-17/h4-6,9-10,13H,1-2,7-8,11-12H2,3H3,(H,18,19)
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17n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419874
PNG
(CHEMBL1956192)
Show SMILES CC(Oc1ccccc1Br)C1=NCCN1
Show InChI InChI=1S/C11H13BrN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)
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23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419886
PNG
(CHEMBL156336)
Show SMILES CCc1ccccc1OC(C)C1=NCCN1
Show InChI InChI=1S/C13H18N2O/c1-3-11-6-4-5-7-12(11)16-10(2)13-14-8-9-15-13/h4-7,10H,3,8-9H2,1-2H3,(H,14,15)
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419890
PNG
(CHEMBL1956191)
Show SMILES CC(Oc1ccccc1Cl)C1=NCCN1
Show InChI InChI=1S/C11H13ClN2O/c1-8(11-13-6-7-14-11)15-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)
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29n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419884
PNG
(CHEMBL157955)
Show SMILES CCc1cccc(CC)c1OC(C)C1=NCCN1
Show InChI InChI=1S/C15H22N2O/c1-4-12-7-6-8-13(5-2)14(12)18-11(3)15-16-9-10-17-15/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,17)
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32n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2A expressed in CHO cells


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
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))
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))
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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419878
PNG
(CHEMBL1956195)
Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1
Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)
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36n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
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=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)
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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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419881
PNG
(CHEMBL1956199)
Show SMILES COc1ccccc1OC(C)C1=NCCN1
Show InChI InChI=1S/C12H16N2O2/c1-9(12-13-7-8-14-12)16-11-6-4-3-5-10(11)15-2/h3-6,9H,7-8H2,1-2H3,(H,13,14)
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50019646
PNG
(2-(alpha-(2,6-Dichlorophenoxy)ethyl)2-imidazoline ...)
Show SMILES CC(Oc1c(Cl)cccc1Cl)C1=NCCN1
Show InChI InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
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68n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2B expressed in CHO cells


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019646
PNG
(2-(alpha-(2,6-Dichlorophenoxy)ethyl)2-imidazoline ...)
Show SMILES CC(Oc1c(Cl)cccc1Cl)C1=NCCN1
Show InChI InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
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69n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS-79948-197 from human adrenoceptor aplha 2C expressed in CHO cells


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419876
PNG
(CHEMBL266613)
Show SMILES CC(C)c1ccccc1OC(C)C1=NCCN1
Show InChI InChI=1S/C14H20N2O/c1-10(2)12-6-4-5-7-13(12)17-11(3)14-15-8-9-16-14/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
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72n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419877
PNG
(CHEMBL1956194)
Show SMILES CC(Oc1ccccc1C(C)=C)C1=NCCN1
Show InChI InChI=1S/C14H18N2O/c1-10(2)12-6-4-5-7-13(12)17-11(3)14-15-8-9-16-14/h4-7,11H,1,8-9H2,2-3H3,(H,15,16)
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72n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419880
PNG
(CHEMBL1956197)
Show SMILES CC(Oc1ccccc1OC1CC1)C1=NCCN1
Show InChI InChI=1S/C14H18N2O2/c1-10(14-15-8-9-16-14)17-12-4-2-3-5-13(12)18-11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)
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83n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419887
PNG
(CHEMBL14208)
Show SMILES CC(C)Oc1ccccc1OC(C)C1=NCCN1
Show InChI InChI=1S/C14H20N2O2/c1-10(2)17-12-6-4-5-7-13(12)18-11(3)14-15-8-9-16-14/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
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83n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
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=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-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-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419879
PNG
(CHEMBL1956196)
Show SMILES CCOc1ccccc1OC(C)C1=NCCN1
Show InChI InChI=1S/C13H18N2O2/c1-3-16-11-6-4-5-7-12(11)17-10(2)13-14-8-9-15-13/h4-7,10H,3,8-9H2,1-2H3,(H,14,15)
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98n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2A expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
More data for this
Ligand-Target Pair
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