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Compile Data Set for Download or QSAR

Found 175 hits with Last Name = 'titomanlio' and Initial = 'f'   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50420342
PNG
(CHEMBL2089156)
Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
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)/t11-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50420342
PNG
(CHEMBL2089156)
Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
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)/t11-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50417346
PNG
(CHEMBL1276220)
Show SMILES C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|
Show InChI InChI=1S/C14H18N2O/c1-10(14-15-8-9-16-14)17-13-5-3-2-4-12(13)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)/t10-/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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7.10n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2A adrenergic receptor expressed in CHO cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 2259-65 (2012)


Article DOI: 10.1016/j.bmc.2012.02.016
BindingDB Entry DOI: 10.7270/Q2JW8G5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50417344
PNG
(CHEMBL1276218)
Show SMILES CC(Oc1ccccc1C1CC1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C14H18N2O/c1-10(14-15-8-9-16-14)17-13-5-3-2-4-12(13)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)
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7.20n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50419878
PNG
(CHEMBL1956195)
Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15|
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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10n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50419878
PNG
(CHEMBL1956195)
Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15|
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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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50493433
PNG
(CHEMBL2431282)
Show SMILES CCCc1ccccc1OC(C)C1=NCCN1 |t:13|
Show InChI InChI=1S/C14H20N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,15,16)
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14n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50419880
PNG
(CHEMBL1956197)
Show SMILES CC(Oc1ccccc1OC1CC1)C1=NCCN1 |t:15|
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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15n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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18n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human Alpha-2C adrenergic receptor expressed in CHO cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 2259-65 (2012)


Article DOI: 10.1016/j.bmc.2012.02.016
BindingDB Entry DOI: 10.7270/Q2JW8G5M
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417346
PNG
(CHEMBL1276220)
Show SMILES C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|
Show InChI InChI=1S/C14H18N2O/c1-10(14-15-8-9-16-14)17-13-5-3-2-4-12(13)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)/t10-/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1 |c:2|
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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23n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2B adrenergic receptor expressed in CHO cells after 30 mins by scintillation counting


Bioorg Med Chem 20: 2259-65 (2012)


Article DOI: 10.1016/j.bmc.2012.02.016
BindingDB Entry DOI: 10.7270/Q2JW8G5M
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419874
PNG
(CHEMBL1956192)
Show SMILES CC(Oc1ccccc1Br)C1=NCCN1 |t:11|
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



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417344
PNG
(CHEMBL1276218)
Show SMILES CC(Oc1ccccc1C1CC1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C14H18N2O/c1-10(14-15-8-9-16-14)17-13-5-3-2-4-12(13)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)
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23n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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28n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50417343
PNG
(CHEMBL1276140)
Show SMILES C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m0/s1
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35n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50417343
PNG
(CHEMBL1276140)
Show SMILES C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m0/s1
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35n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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35n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419878
PNG
(CHEMBL1956195)
Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15|
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



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419878
PNG
(CHEMBL1956195)
Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1 |t:15|
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



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50420341
PNG
(CHEMBL2089155)
Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
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)/t11-/m1/s1
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells after 30 mins


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50420341
PNG
(CHEMBL2089155)
Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
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)/t11-/m1/s1
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40n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50420342
PNG
(CHEMBL2089156)
Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
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)/t11-/m0/s1
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42n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50420342
PNG
(CHEMBL2089156)
Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
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)/t11-/m0/s1
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50420341
PNG
(CHEMBL2089155)
Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
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)/t11-/m1/s1
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45n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50420341
PNG
(CHEMBL2089155)
Show SMILES C[C@@H](Oc1ccccc1CC1CC1)C1=NCCN1 |r,t:15|
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)/t11-/m1/s1
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45n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417345
PNG
(CHEMBL1276219)
Show SMILES C[C@@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|
Show InChI InChI=1S/C14H18N2O/c1-10(14-15-8-9-16-14)17-13-5-3-2-4-12(13)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)/t10-/m1/s1
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45n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473179
PNG
(CHEMBL13917)
Show SMILES CCCc1ccccc1OCC1=NCCN1 |t:12|
Show InChI InChI=1S/C13H18N2O/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h3-4,6-7H,2,5,8-10H2,1H3,(H,14,15)
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49n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50493433
PNG
(CHEMBL2431282)
Show SMILES CCCc1ccccc1OC(C)C1=NCCN1 |t:13|
Show InChI InChI=1S/C14H20N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,15,16)
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50n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417343
PNG
(CHEMBL1276140)
Show SMILES C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m0/s1
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52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417343
PNG
(CHEMBL1276140)
Show SMILES C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m0/s1
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52n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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58n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
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58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2A adrenoceptor expressed in CHO cells after 30 mins by scintillation counting


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50027060
PNG
(2-(2-Cyclopropyl-phenoxymethyl)-4,5-dihydro-1H-imi...)
Show SMILES C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
Show InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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59n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417346
PNG
(CHEMBL1276220)
Show SMILES C[C@H](Oc1ccccc1C1CC1)C1=NCCN1 |r,t:14|
Show InChI InChI=1S/C14H18N2O/c1-10(14-15-8-9-16-14)17-13-5-3-2-4-12(13)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)/t10-/m0/s1
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63n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2C AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50473154
PNG
(CHEMBL14107)
Show SMILES C=CCc1ccccc1OCC1=NCCN1 |t:12|
Show InChI InChI=1S/C13H16N2O/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h2-4,6-7H,1,5,8-10H2,(H,14,15)
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71n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2C AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50473154
PNG
(CHEMBL14107)
Show SMILES C=CCc1ccccc1OCC1=NCCN1 |t:12|
Show InChI InChI=1S/C13H16N2O/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h2-4,6-7H,1,5,8-10H2,(H,14,15)
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71n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417343
PNG
(CHEMBL1276140)
Show SMILES C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m0/s1
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71n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2C AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417343
PNG
(CHEMBL1276140)
Show SMILES C[C@H](Oc1ccccc1CC=C)C1=NCCN1 |r,t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)/t11-/m0/s1
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71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2C adrenoceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor mic...


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50493430
PNG
(CHEMBL2431281)
Show SMILES C(Oc1ccccc1CC1CC1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C14H18N2O/c1-2-4-13(12(3-1)9-11-5-6-11)17-10-14-15-7-8-16-14/h1-4,11H,5-10H2,(H,15,16)
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78n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50493431
PNG
(CHEMBL2431280)
Show SMILES C(Oc1ccccc1OC1CC1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C13H16N2O2/c1-2-4-12(17-10-5-6-10)11(3-1)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
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79n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50473179
PNG
(CHEMBL13917)
Show SMILES CCCc1ccccc1OCC1=NCCN1 |t:12|
Show InChI InChI=1S/C13H18N2O/c1-2-5-11-6-3-4-7-12(11)16-10-13-14-8-9-15-13/h3-4,6-7H,2,5,8-10H2,1H3,(H,14,15)
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79n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417344
PNG
(CHEMBL1276218)
Show SMILES CC(Oc1ccccc1C1CC1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C14H18N2O/c1-10(14-15-8-9-16-14)17-13-5-3-2-4-12(13)11-6-7-11/h2-5,10-11H,6-9H2,1H3,(H,15,16)
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79n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2C AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50419880
PNG
(CHEMBL1956197)
Show SMILES CC(Oc1ccccc1OC1CC1)C1=NCCN1 |t:15|
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



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2A AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50493430
PNG
(CHEMBL2431281)
Show SMILES C(Oc1ccccc1CC1CC1)C1=NCCN1 |t:14|
Show InChI InChI=1S/C14H18N2O/c1-2-4-13(12(3-1)9-11-5-6-11)17-10-14-15-7-8-16-14/h1-4,11H,5-10H2,(H,15,16)
PDB

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UniChem
Article
PubMed
83n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human 5HT1A receptor


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
PDB

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Similars

Article
PubMed
85n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity at human alpha2C AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50412245
PNG
(CHEMBL495095)
Show SMILES CC(Oc1ccccc1CC=C)C1=NCCN1 |t:13|
Show InChI InChI=1S/C14H18N2O/c1-3-6-12-7-4-5-8-13(12)17-11(2)14-15-9-10-16-14/h3-5,7-8,11H,1,6,9-10H2,2H3,(H,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
85n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from human alpha2C adrenoceptor expressed in CHO cells after 30 mins by scintillation counting


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
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