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Compile Data Set for Download or QSAR

Found 209 hits with Last Name = 'battisti' and Initial = 'um'   
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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151272
PNG
(CHEMBL3769930)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H30N2O2/c1-3-7-18(8-4-1)15-21-11-13-22(14-12-21)16-19-17-23-20(24-19)9-5-2-6-10-20/h1,3-4,7-8,19H,2,5-6,9-17H2
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0.741n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50419716
PNG
(CHEMBL1946777)
Show SMILES COc1ccccc1N1CCN(CC2COC(O2)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O3/c1-30-26-15-9-8-14-25(26)29-18-16-28(17-19-29)20-24-21-31-27(32-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24H,16-21H2,1H3
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0.813n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha1d adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin...


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099461
PNG
(CHEMBL3342871)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1
Show InChI InChI=1S/C25H32N4O7S/c1-34-24-8-3-2-7-23(24)27-15-13-26(14-16-27)18-21-19-35-25(36-21)9-11-28(12-10-25)37(32,33)22-6-4-5-20(17-22)29(30)31/h2-8,17,21H,9-16,18-19H2,1H3
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0.912n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50210789
PNG
(CHEMBL3938383)
Show SMILES COc1ccccc1OCCNCC1CSC2(CCCCC2)S1
Show InChI InChI=1S/C18H27NO2S2/c1-20-16-7-3-4-8-17(16)21-12-11-19-13-15-14-22-18(23-15)9-5-2-6-10-18/h3-4,7-8,15,19H,2,5-6,9-14H2,1H3
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0.933n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151254
PNG
(CHEMBL3769895)
Show SMILES C([C@H]1CO[C@](O1)(C1CCCCC1)c1ccccc1)N1CCN(Cc2ccccc2)CC1 |r|
Show InChI InChI=1S/C27H36N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-2,4-7,10-13,25-26H,3,8-9,14-22H2/t26-,27+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from recombinant human alpha1d adrenergic receptor expressed in CHO cell membranes after 30 mins by TopCount liquid scin...


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
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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1.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50210792
PNG
(CHEMBL3917316)
Show SMILES C(COc1ccccc1)NCC1CSC2(CCCCC2)S1
Show InChI InChI=1S/C17H25NOS2/c1-3-7-15(8-4-1)19-12-11-18-13-16-14-20-17(21-16)9-5-2-6-10-17/h1,3-4,7-8,16,18H,2,5-6,9-14H2
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1.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151258
PNG
(CHEMBL3770485)
Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26H,16-22H2
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1.70n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151271
PNG
(CHEMBL3769904)
Show SMILES C(C1COC2(CCCCC2)O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H31NO2/c1-3-7-18(8-4-1)15-19-9-13-22(14-10-19)16-20-17-23-21(24-20)11-5-2-6-12-21/h1,3-4,7-8,19-20H,2,5-6,9-17H2
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2n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50210791
PNG
(CHEMBL3901382)
Show SMILES COc1ccccc1OCCNCC1CSC2(CCCCC2)O1
Show InChI InChI=1S/C18H27NO3S/c1-20-16-7-3-4-8-17(16)21-12-11-19-13-15-14-23-18(22-15)9-5-2-6-10-18/h3-4,7-8,15,19H,2,5-6,9-14H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151259
PNG
(CHEMBL3770830)
Show SMILES C(C1COC(O1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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2.20n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50210795
PNG
(CHEMBL3929328)
Show SMILES COc1ccccc1N1CCN(CC2CSC3(CCCCC3)S2)CC1
Show InChI InChI=1S/C20H30N2OS2/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099461
PNG
(CHEMBL3342871)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccc(c3)[N+]([O-])=O)O2)CC1
Show InChI InChI=1S/C25H32N4O7S/c1-34-24-8-3-2-7-23(24)27-15-13-26(14-16-27)18-21-19-35-25(36-21)9-11-28(12-10-25)37(32,33)22-6-4-5-20(17-22)29(30)31/h2-8,17,21H,9-16,18-19H2,1H3
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50210790
PNG
(CHEMBL3981480)
Show SMILES COc1ccccc1OCCNCC1COC2(CCCCC2)O1
Show InChI InChI=1S/C18H27NO4/c1-20-16-7-3-4-8-17(16)21-12-11-19-13-15-14-22-18(23-15)9-5-2-6-10-18/h3-4,7-8,15,19H,2,5-6,9-14H2,1H3
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151252
PNG
(CHEMBL3770532)
Show SMILES C(C1COC(O1)(C1CCCCC1)C1CCCCC1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H42N2O2/c1-4-10-23(11-5-1)20-28-16-18-29(19-17-28)21-26-22-30-27(31-26,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1,4-5,10-11,24-26H,2-3,6-9,12-22H2
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3.40n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099457
PNG
(CHEMBL3342867)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1
Show InChI InChI=1S/C14H8N4O4/c19-13-12-15-8(14(20)21)5-18(12)11-9(16-13)6-3-1-2-4-7(6)10(11)17-22/h1-5,15,19H,(H,20,21)
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4.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099437
PNG
(CHEMBL3342853)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1
Show InChI InChI=1S/C26H35N3O3/c1-30-25-10-6-5-9-24(25)29-17-15-28(16-18-29)20-23-21-31-26(32-23)11-13-27(14-12-26)19-22-7-3-2-4-8-22/h2-10,23H,11-21H2,1H3
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4.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50210794
PNG
(CHEMBL3892434)
Show SMILES COc1ccccc1N1CCN(CC2CSC3(CCCCC3)O2)CC1
Show InChI InChI=1S/C20H30N2O2S/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-25-20(24-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099434
PNG
(CHEMBL2234448)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1
Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3
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5.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099434
PNG
(CHEMBL2234448)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCCCC3)O2)CC1
Show InChI InChI=1S/C20H30N2O3/c1-23-19-8-4-3-7-18(19)22-13-11-21(12-14-22)15-17-16-24-20(25-17)9-5-2-6-10-20/h3-4,7-8,17H,2,5-6,9-16H2,1H3
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5.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 125: 435-452 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.050
BindingDB Entry DOI: 10.7270/Q2BG2R46
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099460
PNG
(CHEMBL3342870)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)O2)CC1
Show InChI InChI=1S/C25H32N4O7S/c1-34-24-5-3-2-4-23(24)27-16-14-26(15-17-27)18-21-19-35-25(36-21)10-12-28(13-11-25)37(32,33)22-8-6-20(7-9-22)29(30)31/h2-9,21H,10-19H2,1H3
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5.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099460
PNG
(CHEMBL3342870)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)O2)CC1
Show InChI InChI=1S/C25H32N4O7S/c1-34-24-5-3-2-4-23(24)27-16-14-26(15-17-27)18-21-19-35-25(36-21)10-12-28(13-11-25)37(32,33)22-8-6-20(7-9-22)29(30)31/h2-9,21H,10-19H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099458
PNG
(CHEMBL3342868)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)O2)CC1
Show InChI InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)
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6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099441
PNG
(CHEMBL3342857)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)c3ccccc3)O2)CC1
Show InChI InChI=1S/C16H13FN2O3/c1-21-13-7-11-12(8-14(13)22-2)18-15(19-16(11)20)9-4-3-5-10(17)6-9/h3-8H,1-2H3,(H,18,19,20)
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6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099437
PNG
(CHEMBL3342853)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(Cc4ccccc4)CC3)O2)CC1
Show InChI InChI=1S/C26H35N3O3/c1-30-25-10-6-5-9-24(25)29-17-15-28(16-18-29)20-23-21-31-26(32-23)11-13-27(14-12-26)19-22-7-3-2-4-8-22/h2-10,23H,11-21H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099458
PNG
(CHEMBL3342868)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)O2)CC1
Show InChI InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)
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7.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151264
PNG
(CHEMBL3770589)
Show SMILES O[C@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C29H34N2O/c32-28-25(23-31-20-18-30(19-21-31)22-24-10-4-1-5-11-24)16-17-29(28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28,32H,16-23H2/t25-,28+/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50151263
PNG
(CHEMBL3770151)
Show SMILES O[C@H]1[C@@H](CN2CCC(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H35NO/c32-29-26(23-31-20-17-25(18-21-31)22-24-10-4-1-5-11-24)16-19-30(29,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,25-26,29,32H,16-23H2/t26-,29+/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099456
PNG
(CHEMBL3342866)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccccc3)O2)CC1
Show InChI InChI=1S/C25H33N3O5S/c1-31-24-10-6-5-9-23(24)27-17-15-26(16-18-27)19-21-20-32-25(33-21)11-13-28(14-12-25)34(29,30)22-7-3-2-4-8-22/h2-10,21H,11-20H2,1H3
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099462
PNG
(CHEMBL3342872)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccs3)O2)CC1
Show InChI InChI=1S/C23H31N3O5S2/c1-29-21-6-3-2-5-20(21)25-14-12-24(13-15-25)17-19-18-30-23(31-19)8-10-26(11-9-23)33(27,28)22-7-4-16-32-22/h2-7,16,19H,8-15,17-18H2,1H3
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7.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099441
PNG
(CHEMBL3342857)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)c3ccccc3)O2)CC1
Show InChI InChI=1S/C16H13FN2O3/c1-21-13-7-11-12(8-14(13)22-2)18-15(19-16(11)20)9-4-3-5-10(17)6-9/h3-8H,1-2H3,(H,18,19,20)
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8.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50099457
PNG
(CHEMBL3342867)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1
Show InChI InChI=1S/C14H8N4O4/c19-13-12-15-8(14(20)21)5-18(12)11-9(16-13)6-3-1-2-4-7(6)10(11)17-22/h1-5,15,19H,(H,20,21)
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8.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099435
PNG
(CHEMBL3342852)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1
Show InChI InChI=1S/C19H28N2O3S/c1-22-18-5-3-2-4-17(18)21-10-8-20(9-11-21)14-16-15-23-19(24-16)6-12-25-13-7-19/h2-5,16H,6-15H2,1H3
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8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099459
PNG
(CHEMBL3342869)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)O2)CC1
Show InChI InChI=1S/C18H14N4O6/c23-12(24)6-3-7-28-21-14-10-5-2-1-4-9(10)13-15(14)22-8-11(18(26)27)19-16(22)17(25)20-13/h1-2,4-5,8H,3,6-7H2,(H,20,25)(H,23,24)(H,26,27)/b21-14+
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8.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099442
PNG
(CHEMBL3342858)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)c3ccccn3)O2)CC1
Show InChI InChI=1S/C14H9FN2O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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8.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099435
PNG
(CHEMBL3342852)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCSCC3)O2)CC1
Show InChI InChI=1S/C19H28N2O3S/c1-22-18-5-3-2-4-17(18)21-10-8-20(9-11-21)14-16-15-23-19(24-16)6-12-25-13-7-19/h2-5,16H,6-15H2,1H3
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9.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


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


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099439
PNG
(CHEMBL3342855)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCS(=O)(=O)CC3)O2)CC1
Show InChI InChI=1S/C18H12N2O/c21-18-15-7-3-4-8-16(15)19-17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,(H,19,20,21)
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9.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099462
PNG
(CHEMBL3342872)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3cccs3)O2)CC1
Show InChI InChI=1S/C23H31N3O5S2/c1-29-21-6-3-2-5-20(21)25-14-12-24(13-15-25)17-19-18-30-23(31-19)8-10-26(11-9-23)33(27,28)22-7-4-16-32-22/h2-7,16,19H,8-15,17-18H2,1H3
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9.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099444
PNG
(CHEMBL3342860)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)O2)CC1
Show InChI InChI=1S/C20H16N2O3/c1-24-17-10-15-16(11-18(17)25-2)21-19(22-20(15)23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,21,22,23)
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PubMed
10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151268
PNG
(CHEMBL3771017)
Show SMILES OCC(CN1CCN(Cc2ccccc2)CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H32N2O2/c30-22-26(21-29-18-16-28(17-19-29)20-23-10-4-1-5-11-23)31-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27,30H,16-22H2
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PubMed
11n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099443
PNG
(CHEMBL3342859)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccccc3)O2)CC1
Show InChI InChI=1S/C14H9FN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
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PubMed
11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099457
PNG
(CHEMBL3342867)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccc(C)cc3)O2)CC1
Show InChI InChI=1S/C14H8N4O4/c19-13-12-15-8(14(20)21)5-18(12)11-9(16-13)6-3-1-2-4-7(6)10(11)17-22/h1-5,15,19H,(H,20,21)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099444
PNG
(CHEMBL3342860)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)O2)CC1
Show InChI InChI=1S/C20H16N2O3/c1-24-17-10-15-16(11-18(17)25-2)21-19(22-20(15)23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,21,22,23)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099453
PNG
(CHEMBL3342863)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)C3CCCN3)O2)CC1
Show InChI InChI=1S/C24H36N4O4/c1-30-22-7-3-2-6-21(22)27-15-13-26(14-16-27)17-19-18-31-24(32-19)8-11-28(12-9-24)23(29)20-5-4-10-25-20/h2-3,6-7,19-20,25H,4-5,8-18H2,1H3
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099473
PNG
(CHEMBL3342874)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)Nc3ccccc3)O2)CC1
Show InChI InChI=1S/C26H34N4O4/c1-32-24-10-6-5-9-23(24)29-17-15-28(16-18-29)19-22-20-33-26(34-22)11-13-30(14-12-26)25(31)27-21-7-3-2-4-8-21/h2-10,22H,11-20H2,1H3,(H,27,31)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50151251
PNG
(CHEMBL3771186)
Show SMILES C(C1COC(S1)(c1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31NOS/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
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12n/an/an/an/an/an/an/an/a



Universit£ di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method


Eur J Med Chem 112: 1-19 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.059
BindingDB Entry DOI: 10.7270/Q23J3FTB
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099456
PNG
(CHEMBL3342866)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)S(=O)(=O)c3ccccc3)O2)CC1
Show InChI InChI=1S/C25H33N3O5S/c1-31-24-10-6-5-9-23(24)27-17-15-26(16-18-27)19-21-20-32-25(33-21)11-13-28(14-12-25)34(29,30)22-7-3-2-4-8-22/h2-10,21H,11-20H2,1H3
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PubMed
12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50099473
PNG
(CHEMBL3342874)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)Nc3ccccc3)O2)CC1
Show InChI InChI=1S/C26H34N4O4/c1-32-24-10-6-5-9-23(24)29-17-15-28(16-18-29)19-22-20-33-26(34-22)11-13-30(14-12-26)25(31)27-21-7-3-2-4-8-21/h2-10,22H,11-20H2,1H3,(H,27,31)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50099565
PNG
(CHEMBL3342876)
Show SMILES COc1ccccc1N1CCN(CC2COC3(CCN(CC3)C(=O)NC(C)(C)C)O2)CC1
Show InChI InChI=1S/C24H38N4O4/c1-23(2,3)25-22(29)28-11-9-24(10-12-28)31-18-19(32-24)17-26-13-15-27(16-14-26)20-7-5-6-8-21(20)30-4/h5-8,19H,9-18H2,1-4H3,(H,25,29)
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Modena e Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting


Eur J Med Chem 87: 248-66 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.070
BindingDB Entry DOI: 10.7270/Q20G3MX4
More data for this
Ligand-Target Pair
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