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Compile Data Set for Download or QSAR

Found 2091 hits with Last Name = 'piergentili' and Initial = 'a'   
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
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475529
PNG
(CLOPENPHENDIOXAN | Clopenphendioxan)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClNO5/c1-28-23-8-5-9-24(29-2)25(23)31-17-15-27-14-16-30-21-6-3-4-7-22(21)32-18-19-10-12-20(26)13-11-19/h3-13,27H,14-18H2,1-2H3
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0.0316n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0500n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Affinity at alpha4-beta2 nACh receptors in rat brain (minus cerebellum) homogenates.


Bioorg Med Chem Lett 13: 733-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01031-4
BindingDB Entry DOI: 10.7270/Q2FT8NKF
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475534
PNG
(CHEMBL198860)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClNO5/c1-28-23-11-6-12-24(29-2)25(23)31-16-14-27-13-15-30-21-9-3-4-10-22(21)32-18-19-7-5-8-20(26)17-19/h3-12,17,27H,13-16,18H2,1-2H3
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0.0501n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475537
PNG
(CHEMBL196817)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H28N2O7/c1-30-23-8-5-9-24(31-2)25(23)33-17-15-26-14-16-32-21-6-3-4-7-22(21)34-18-19-10-12-20(13-11-19)27(28)29/h3-13,26H,14-18H2,1-2H3
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0.0501n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415166
PNG
(CHEMBL578825)
Show SMILES O=C1CC(Sc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C21H23NOS/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
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0.0525n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415165
PNG
(CHEMBL570795)
Show SMILES C(N1CCC(CC1)C1CCc2ccccc2S1)c1ccccc1
Show InChI InChI=1/C21H25NS/c1-2-6-17(7-3-1)16-22-14-12-19(13-15-22)21-11-10-18-8-4-5-9-20(18)23-21/h1-9,19,21H,10-16H2
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0.0575n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475532
PNG
(CHEMBL197442)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H28N2O7/c1-30-23-11-6-12-24(31-2)25(23)33-16-14-26-13-15-32-21-9-3-4-10-22(21)34-18-19-7-5-8-20(17-19)27(28)29/h3-12,17,26H,13-16,18H2,1-2H3
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0.0631n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475538
PNG
(CHEMBL200366)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1
Show InChI InChI=1S/C26H31NO5/c1-20-11-13-21(14-12-20)19-32-23-8-5-4-7-22(23)30-17-15-27-16-18-31-26-24(28-2)9-6-10-25(26)29-3/h4-14,27H,15-19H2,1-3H3
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0.0631n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415164
PNG
(CHEMBL570529)
Show SMILES O=C1CC(Oc2ccccc12)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1/C21H23NO2/c23-19-14-21(24-20-9-5-4-8-18(19)20)17-10-12-22(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,21H,10-15H2
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0.0661n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50416853
PNG
(CHEMBL43116)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO5/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
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0.0676n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic Alpha-1D expressed in CHO cells


Bioorg Med Chem 18: 7065-77 (2010)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50416853
PNG
(CHEMBL43116)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO5/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
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0.0676n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415163
PNG
(CHEMBL571418)
Show SMILES C(N1CCC2(CC1)OCc1ccccc1S2)c1ccccc1
Show InChI InChI=1S/C19H21NOS/c1-2-6-16(7-3-1)14-20-12-10-19(11-13-20)21-15-17-8-4-5-9-18(17)22-19/h1-9H,10-15H2
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0.0891n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415162
PNG
(CHEMBL572294)
Show SMILES C(N1CCC2(CC1)OCc1ccccc1O2)c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-2-6-16(7-3-1)14-20-12-10-19(11-13-20)21-15-17-8-4-5-9-18(17)22-19/h1-9H,10-15H2
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0.0977n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475530
PNG
(CHEMBL200580)
Show SMILES COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1
Show InChI InChI=1S/C26H31NO6/c1-28-21-13-11-20(12-14-21)19-33-23-8-5-4-7-22(23)31-17-15-27-16-18-32-26-24(29-2)9-6-10-25(26)30-3/h4-14,27H,15-19H2,1-3H3
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0.100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415161
PNG
(CHEMBL570067)
Show SMILES O=C1CC(Oc2ccccc12)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1/C22H25NO2/c24-20-16-22(25-21-9-5-4-8-19(20)21)18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17/h1-9,18,22H,10-16H2
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0.110n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475540
PNG
(CHEMBL382972)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C
Show InChI InChI=1S/C26H31NO5/c1-20-9-4-5-10-21(20)19-32-23-12-7-6-11-22(23)30-17-15-27-16-18-31-26-24(28-2)13-8-14-25(26)29-3/h4-14,27H,15-19H2,1-3H3
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0.126n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/s2
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0.135n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/s2
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0.141n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475534
PNG
(CHEMBL198860)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClNO5/c1-28-23-11-6-12-24(29-2)25(23)31-16-14-27-13-15-30-21-9-3-4-10-22(21)32-18-19-7-5-8-20(26)17-19/h3-12,17,27H,13-16,18H2,1-2H3
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0.158n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1B expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/s2
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0.178n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M2 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50416854
PNG
(CHEMBL1254582)
Show SMILES COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO4S/c1-27-23-13-8-14-24(28-2)25(23)31-18-16-26-15-17-29-21-11-6-7-12-22(21)30-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
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0.178n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic Alpha-1D expressed in CHO cells


Bioorg Med Chem 18: 7065-77 (2010)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475533
PNG
(CHEMBL199080)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1
Show InChI InChI=1S/C26H31NO5/c1-20-8-6-9-21(18-20)19-32-23-11-5-4-10-22(23)30-16-14-27-15-17-31-26-24(28-2)12-7-13-25(26)29-3/h4-13,18,27H,14-17,19H2,1-3H3
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0.200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/s2
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0.209n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M5 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50415160
PNG
(CHEMBL571659)
Show SMILES O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc12
Show InChI InChI=1S/C20H21NO2/c22-18-14-20(23-19-9-5-4-8-17(18)19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2
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0.209n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in human Jurkat cell membrane


J Med Chem 53: 1261-9 (2010)


Article DOI: 10.1021/jm901542q
BindingDB Entry DOI: 10.7270/Q28K7B9S
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475533
PNG
(CHEMBL199080)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1
Show InChI InChI=1S/C26H31NO5/c1-20-8-6-9-21(18-20)19-32-23-11-5-4-10-22(23)30-16-14-27-15-17-31-26-24(28-2)12-7-13-25(26)29-3/h4-13,18,27H,14-17,19H2,1-3H3
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0.251n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1B expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475538
PNG
(CHEMBL200366)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1
Show InChI InChI=1S/C26H31NO5/c1-20-11-13-21(14-12-20)19-32-23-8-5-4-7-22(23)30-17-15-27-16-18-31-26-24(28-2)9-6-10-25(26)29-3/h4-14,27H,15-19H2,1-3H3
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0.251n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1B expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475534
PNG
(CHEMBL198860)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClNO5/c1-28-23-11-6-12-24(29-2)25(23)31-16-14-27-13-15-30-21-9-3-4-10-22(21)32-18-19-7-5-8-20(26)17-19/h3-12,17,27H,13-16,18H2,1-2H3
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0.251n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1A expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475535
PNG
(CHEMBL200839)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl
Show InChI InChI=1S/C25H28ClNO5/c1-28-23-12-7-13-24(29-2)25(23)31-17-15-27-14-16-30-21-10-5-6-11-22(21)32-18-19-8-3-4-9-20(19)26/h3-13,27H,14-18H2,1-2H3
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0.251n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475529
PNG
(CLOPENPHENDIOXAN | Clopenphendioxan)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClNO5/c1-28-23-8-5-9-24(29-2)25(23)31-17-15-27-14-16-30-21-6-3-4-7-22(21)32-18-19-10-12-20(26)13-11-19/h3-13,27H,14-18H2,1-2H3
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0.251n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1A expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004767
PNG
(CHEMBL2312536)
Show SMILES COc1ccccc1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/s2
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0.309n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004767
PNG
(CHEMBL2312536)
Show SMILES COc1ccccc1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/s2
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0.310n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


J Med Chem 56: 584-8 (2013)


Article DOI: 10.1021/jm301525w
BindingDB Entry DOI: 10.7270/Q2474CDQ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475536
PNG
(CHEMBL427552)
Show SMILES COc1cccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)c1
Show InChI InChI=1S/C26H31NO6/c1-28-21-9-6-8-20(18-21)19-33-23-11-5-4-10-22(23)31-16-14-27-15-17-32-26-24(29-2)12-7-13-25(26)30-3/h4-13,18,27H,14-17,19H2,1-3H3
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0.316n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475532
PNG
(CHEMBL197442)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H28N2O7/c1-30-23-11-6-12-24(31-2)25(23)33-16-14-26-13-15-32-21-9-3-4-10-22(21)34-18-19-7-5-8-20(17-19)27(28)29/h3-12,17,26H,13-16,18H2,1-2H3
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0.316n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1A expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/s2
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0.324n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO cells after 120 mins by scintillation counting


J Med Chem 55: 1783-7 (2012)


Article DOI: 10.1021/jm2013216
BindingDB Entry DOI: 10.7270/Q2GT5P63
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens)
BDBM50257034
PNG
(CHEMBL4096543)
Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1
Show InChI InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3
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0.331n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)

More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50050915
PNG
(CHEMBL72657 | [2-(2,6-Dimethoxy-phenoxy)-ethyl]-((...)
Show SMILES COc1cccc(OC)c1OCCNC[C@@H]1Oc2ccccc2O[C@H]1c1ccc(C)cc1
Show InChI InChI=1S/C26H29NO5/c1-18-11-13-19(14-12-18)25-24(31-20-7-4-5-8-21(20)32-25)17-27-15-16-30-26-22(28-2)9-6-10-23(26)29-3/h4-14,24-25,27H,15-17H2,1-3H3/t24-,25-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Alpha-1A adrenergic receptor in bovine brainusing [3H]-prazosin as radioligand


J Med Chem 39: 2253-8 (1996)


Article DOI: 10.1021/jm960069a
BindingDB Entry DOI: 10.7270/Q22Z14NF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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0.363n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2A receptor expressed in CHO cells


J Med Chem 51: 4289-99 (2008)


Article DOI: 10.1021/jm800250z
BindingDB Entry DOI: 10.7270/Q2HQ4147
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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0.370n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


J Med Chem 56: 584-8 (2013)


Article DOI: 10.1021/jm301525w
BindingDB Entry DOI: 10.7270/Q2474CDQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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0.372n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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0.372n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


J Med Chem 51: 6359-70 (2008)


Article DOI: 10.1021/jm800461k
BindingDB Entry DOI: 10.7270/Q2S183R7
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50453799
PNG
(NIGULDIPINE | Niguldipine)
Show SMILES COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/s2
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0.380n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Alpha-1A adrenergic receptor in bovine brainusing [3H]-prazosin as radioligand


J Med Chem 39: 2253-8 (1996)


Article DOI: 10.1021/jm960069a
BindingDB Entry DOI: 10.7270/Q22Z14NF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50416857
PNG
(CHEMBL1254742)
Show SMILES CCOc1cccc(OCC)c1OCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C27H33NO5/c1-3-29-25-15-10-16-26(30-4-2)27(25)32-20-18-28-17-19-31-23-13-8-9-14-24(23)33-21-22-11-6-5-7-12-22/h5-16,28H,3-4,17-21H2,1-2H3
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0.389n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic Alpha-1D expressed in CHO cells


Bioorg Med Chem 18: 7065-77 (2010)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004768
PNG
(CHEMBL2312538)
Show SMILES C(COc1ccccc1)NC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/s2
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0.398n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475530
PNG
(CHEMBL200580)
Show SMILES COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1
Show InChI InChI=1S/C26H31NO6/c1-28-21-13-11-20(12-14-21)19-33-23-8-5-4-7-22(23)31-17-15-27-16-18-32-26-24(29-2)9-6-10-25(26)30-3/h4-14,27H,15-19H2,1-3H3
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0.398n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1B expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475537
PNG
(CHEMBL196817)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H28N2O7/c1-30-23-8-5-9-24(31-2)25(23)33-17-15-26-14-16-32-21-6-3-4-7-22(21)34-18-19-10-12-20(13-11-19)27(28)29/h3-13,26H,14-18H2,1-2H3
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0.398n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1B expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50475533
PNG
(CHEMBL199080)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(C)c1
Show InChI InChI=1S/C26H31NO5/c1-20-8-6-9-21(18-20)19-32-23-11-5-4-10-22(23)30-16-14-27-15-17-31-26-24(28-2)12-7-13-25(26)29-3/h4-13,18,27H,14-17,19H2,1-3H3
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0.398n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1A expressed in CHO cells


J Med Chem 48: 7750-63 (2005)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004768
PNG
(CHEMBL2312538)
Show SMILES C(COc1ccccc1)NC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/s2
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0.400n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


J Med Chem 56: 584-8 (2013)


Article DOI: 10.1021/jm301525w
BindingDB Entry DOI: 10.7270/Q2474CDQ
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
Show InChI InChI=1/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-/s2
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0.410n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenergic receptor expressed in CHO cell membranes after 30 mins


J Med Chem 56: 584-8 (2013)


Article DOI: 10.1021/jm301525w
BindingDB Entry DOI: 10.7270/Q2474CDQ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM69602
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
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
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0.427n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cells


J Med Chem 51: 6359-70 (2008)


Article DOI: 10.1021/jm800461k
BindingDB Entry DOI: 10.7270/Q2S183R7
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM69602
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)
Show SMILES COc1cccc(OC)c1OCCNCC1COc2ccccc2O1
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
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0.427n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A expressed in CHO cells


Bioorg Med Chem 18: 7065-77 (2010)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair
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