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Compile Data Set for Download or QSAR

Found 291 hits with Last Name = 'fumagalli' and Initial = 'l'   
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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50097618
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-p...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)-c1ccccc1
Show InChI InChI=1S/C17H20N2O/c1-19-9-5-8-16(19)13-20-17-10-15(11-18-12-17)14-6-3-2-4-7-14/h2-4,6-7,10-12,16H,5,8-9,13H2,1H3/t16-/m0/s1
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0.110n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50049756
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine |...)
Show SMILES CN1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50069827
PNG
(3-Bromo-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-py...)
Show SMILES CN1CCC[C@H]1COc1cncc(Br)c1
Show InChI InChI=1S/C11H15BrN2O/c1-14-4-2-3-10(14)8-15-11-5-9(12)6-13-7-11/h5-7,10H,2-4,8H2,1H3/t10-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50392641
PNG
(CHEMBL2153553)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r|
Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1
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0.372n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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0.407n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50392645
PNG
(CHEMBL2153557)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r|
Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1D receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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0.513n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50392645
PNG
(CHEMBL2153557)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r|
Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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0.646n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50392643
PNG
(CHEMBL2153555)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r|
Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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0.708n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50392641
PNG
(CHEMBL2153553)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r|
Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1
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0.851n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50392643
PNG
(CHEMBL2153555)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r|
Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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0.891n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50392641
PNG
(CHEMBL2153553)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r|
Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1
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0.912n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50392639
PNG
(CHEMBL2153551)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 |r|
Show InChI InChI=1S/C19H23NO6/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-20-11-13-12-25-17-8-3-5-14(21)18(17)26-13/h3-8,13,20-21H,9-12H2,1-2H3/t13-/m0/s1
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1n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50411193
PNG
(CHEMBL215151)
Show SMILES COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H25NO4/c1-26-23-13-7-10-20(18-8-3-2-4-9-18)24(23)27-15-14-25-16-19-17-28-21-11-5-6-12-22(21)29-19/h2-13,19,25H,14-17H2,1H3/t19-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50392645
PNG
(CHEMBL2153557)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r|
Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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1.41n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50411188
PNG
(CHEMBL217469)
Show SMILES COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C22H23NO4/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17/h2-11,17,23H,12-15H2,1H3/t17-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50392643
PNG
(CHEMBL2153555)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r|
Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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2n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
Inhibition of [3H]-epibatidine binding to alpha 4 beta 2 nicotinic acetylcholine receptor of rat cortex membranes


Bioorg Med Chem Lett 14: 5827-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.044
BindingDB Entry DOI: 10.7270/Q2B56J7G
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50392643
PNG
(CHEMBL2153555)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(Cl)c2O1 |r|
Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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2.19n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50392639
PNG
(CHEMBL2153551)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 |r|
Show InChI InChI=1S/C19H23NO6/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-20-11-13-12-25-17-8-3-5-14(21)18(17)26-13/h3-8,13,20-21H,9-12H2,1-2H3/t13-/m0/s1
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2.19n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50392645
PNG
(CHEMBL2153557)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(F)c2O1 |r|
Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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2.45n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in rat hippocampal membranes after 30 mins by liquid scintillation counting


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50392641
PNG
(CHEMBL2153553)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(OC)c2O1 |r|
Show InChI InChI=1S/C20H25NO6/c1-22-15-6-4-7-16(23-2)19(15)25-11-10-21-12-14-13-26-18-9-5-8-17(24-3)20(18)27-14/h4-9,14,21H,10-13H2,1-3H3/t14-/m0/s1
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2.75n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50411194
PNG
(CHEMBL383938)
Show SMILES COc1ccc2CCCCc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C22H27NO4/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17/h4-5,8-11,17,23H,2-3,6-7,12-15H2,1H3/t17-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50411193
PNG
(CHEMBL215151)
Show SMILES COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H25NO4/c1-26-23-13-7-10-20(18-8-3-2-4-9-18)24(23)27-15-14-25-16-19-17-28-21-11-5-6-12-22(21)29-19/h2-13,19,25H,14-17H2,1H3/t19-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1D receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50203716
PNG
(CHEMBL3982273)
Show SMILES CN1CCC[C@H]1COc1cc(O)cc(c1)-c1ccc(O)cc1 |r|
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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50392644
PNG
(CHEMBL2153556)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 |r|
Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m1/s1
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3.98n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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4n/an/an/an/an/an/an/an/a



Università di Milano Pietro Pratesi

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nAchR in rat brain cortex membrane


Bioorg Med Chem Lett 19: 854-9 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.002
BindingDB Entry DOI: 10.7270/Q29K4B2T
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from alpha4beta2-nACHR in rat cerebral cortex membranes preincubated for 30 mins followed by overnight incubation wi...


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50411187
PNG
(CHEMBL439346)
Show SMILES COc1ccc2ccccc2c1OCCNC[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C22H23NO4/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17/h2-11,17,23H,12-15H2,1H3/t17-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50411195
PNG
(CHEMBL214694)
Show SMILES COc1ccc(cc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H25NO4/c1-26-21-12-11-19(18-7-3-2-4-8-18)15-24(21)27-14-13-25-16-20-17-28-22-9-5-6-10-23(22)29-20/h2-12,15,20,25H,13-14,16-17H2,1H3/t20-/m0/s1
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5.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50392644
PNG
(CHEMBL2153556)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(Cl)c2O1 |r|
Show InChI InChI=1S/C19H22ClNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m1/s1
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5.62n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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5.75n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1B adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50392637
PNG
(CHEMBL215421)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1B receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50411188
PNG
(CHEMBL217469)
Show SMILES COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C22H23NO4/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17/h2-11,17,23H,12-15H2,1H3/t17-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1D receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50411193
PNG
(CHEMBL215151)
Show SMILES COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H25NO4/c1-26-23-13-7-10-20(18-8-3-2-4-9-18)24(23)27-15-14-25-16-19-17-28-21-11-5-6-12-22(21)29-19/h2-13,19,25H,14-17H2,1H3/t19-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50392646
PNG
(CHEMBL2153558)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COc2cccc(F)c2O1 |r|
Show InChI InChI=1S/C19H22FNO5/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-21-11-13-12-25-17-8-3-5-14(20)18(17)26-13/h3-8,13,21H,9-12H2,1-2H3/t13-/m1/s1
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7.41n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50411194
PNG
(CHEMBL383938)
Show SMILES COc1ccc2CCCCc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C22H27NO4/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17/h4-5,8-11,17,23H,2-3,6-7,12-15H2,1H3/t17-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50392639
PNG
(CHEMBL2153551)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COc2cccc(O)c2O1 |r|
Show InChI InChI=1S/C19H23NO6/c1-22-15-6-4-7-16(23-2)19(15)24-10-9-20-11-13-12-25-17-8-3-5-14(21)18(17)26-13/h3-8,13,20-21H,9-12H2,1-2H3/t13-/m0/s1
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8.91n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50203721
PNG
(CHEMBL3908946)
Show SMILES CN1CCC[C@H]1COc1cccc(c1)[N+]([O-])=O |r|
PDB
MMDB

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9n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-cytisine from alpha4beta2-nACHR in rat whole brain membranes incubated for 60 mins


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50002735
PNG
(CHEMBL214952)
Show SMILES Cl.COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H25NO4.ClH/c1-26-23-13-7-10-20(18-8-3-2-4-9-18)24(23)27-15-14-25-16-19-17-28-21-11-5-6-12-22(21)29-19;/h2-13,19,25H,14-17H2,1H3;1H/t19-;/m1./s1
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9.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50392638
PNG
(CHEMBL214986)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m1/s1
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1D receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50392638
PNG
(CHEMBL214986)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m1/s1
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10.5n/an/an/an/an/an/an/an/a



Universit£ di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cell membranes after 30 mins by liquid scintillation counter


Eur J Med Chem 58: 184-91 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.049
BindingDB Entry DOI: 10.7270/Q2WQ04W7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50392638
PNG
(CHEMBL214986)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3/t14-/m1/s1
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50002732
PNG
(CHEMBL217143)
Show SMILES Cl.COc1ccc2CCCCc2c1OCCNC[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C22H27NO4.ClH/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17;/h4-5,8-11,17,23H,2-3,6-7,12-15H2,1H3;1H/t17-;/m1./s1
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1A receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50411188
PNG
(CHEMBL217469)
Show SMILES COc1ccc2ccccc2c1OCCNC[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C22H23NO4/c1-24-21-11-10-16-6-2-3-7-18(16)22(21)25-13-12-23-14-17-15-26-19-8-4-5-9-20(19)27-17/h2-11,17,23H,12-15H2,1H3/t17-/m0/s1
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat hippocampus


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50411195
PNG
(CHEMBL214694)
Show SMILES COc1ccc(cc1OCCNC[C@H]1COc2ccccc2O1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H25NO4/c1-26-21-12-11-19(18-7-3-2-4-8-18)15-24(21)27-14-13-25-16-20-17-28-22-9-5-6-10-23(22)29-20/h2-12,15,20,25H,13-14,16-17H2,1H3/t20-/m0/s1
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human adrenergic alpha 1B receptor expressed in CHO cells


J Med Chem 49: 7140-9 (2006)

Checked by Author
Article DOI: 10.1021/jm060358r
BindingDB Entry DOI: 10.7270/Q25Q4XBK
More data for this
Ligand-Target Pair
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