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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'silveira' and Initial = 'er'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50198338
PNG
(CHEMBL3938038)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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0.389n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50200566
PNG
(CHEMBL3902626)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1
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0.603n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50200441
PNG
(CHEMBL3930616)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1
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1.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50201790
PNG
(CHEMBL3917716)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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1.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50201789
PNG
(CHEMBL3946843)
Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50200441
PNG
(CHEMBL3930616)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50201791
PNG
(CHEMBL3920110)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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1.30n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50201790
PNG
(CHEMBL3917716)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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1.5n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50198338
PNG
(CHEMBL3938038)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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1.70n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50201791
PNG
(CHEMBL3920110)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
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2n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50200566
PNG
(CHEMBL3902626)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1
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2.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50197059
PNG
(CHEMBL3976144)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1
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2.20n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50197548
PNG
(CHEMBL3947302)
Show SMILES CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
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2.60n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50201789
PNG
(CHEMBL3946843)
Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1
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2.80n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50197548
PNG
(CHEMBL3947302)
Show SMILES CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
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3n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50197059
PNG
(CHEMBL3976144)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1
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3.10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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3.5n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50198439
PNG
(CHEMBL3967641)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1
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4.60n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50198439
PNG
(CHEMBL3967641)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1
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5n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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5.20n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50201790
PNG
(CHEMBL3917716)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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5.40n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50201791
PNG
(CHEMBL3920110)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1OC
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10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50200441
PNG
(CHEMBL3930616)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)cc2)CC1
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10n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50198338
PNG
(CHEMBL3938038)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
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13n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50201789
PNG
(CHEMBL3946843)
Show SMILES COc1cccc(CCN2CCN(CC2)c2ccccc2OC(C)C)c1
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14n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50197059
PNG
(CHEMBL3976144)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ccccc2OC(C)C)cc1
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15n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50200566
PNG
(CHEMBL3902626)
Show SMILES CCOc1ccccc1N1CCN(CCc2ccc(OC)c(OC)c2)CC1
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16n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50201787
PNG
(CHEMBL27021)
Show SMILES COc1ccccc1N1CCN(CCc2ccccc2)CC1
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17n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50197548
PNG
(CHEMBL3947302)
Show SMILES CCOc1ccccc1N1CCN(CCc2cccc(OC)c2)CC1
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25n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50201787
PNG
(CHEMBL27021)
Show SMILES COc1ccccc1N1CCN(CCc2ccccc2)CC1
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32n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50198439
PNG
(CHEMBL3967641)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCc2ccccc2)CC1
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78n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50201787
PNG
(CHEMBL27021)
Show SMILES COc1ccccc1N1CCN(CCc2ccccc2)CC1
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91n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B-adrenoceptor expressed in CHO cell membranes measured after 30 mins


Eur J Med Chem 122: 601-610 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.052
BindingDB Entry DOI: 10.7270/Q2JW8GW1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139050
PNG
(CHEMBL3753906)
Show SMILES COc1cccc(CCCCCCCCN2CCC(C2)OC(=O)N(C)C)c1
Show InChI InChI=1/C22H36N2O3/c1-23(2)22(25)27-21-14-16-24(18-21)15-9-7-5-4-6-8-11-19-12-10-13-20(17-19)26-3/h10,12-13,17,21H,4-9,11,14-16,18H2,1-3H3
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8.60E+3n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139006
PNG
(CHEMBL3753607)
Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1
Show InChI InChI=1S/C24H35NO/c1-3-25(21-23-15-10-8-11-16-23)19-12-7-5-4-6-9-14-22-17-13-18-24(20-22)26-2/h8,10-11,13,15-18,20H,3-7,9,12,14,19,21H2,1-2H3
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1.04E+4n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139052
PNG
(CHEMBL3754700)
Show SMILES COc1cccc(CCCCCCCCNCc2ccccc2OC)c1
Show InChI InChI=1S/C23H33NO2/c1-25-22-15-11-13-20(18-22)12-7-5-3-4-6-10-17-24-19-21-14-8-9-16-23(21)26-2/h8-9,11,13-16,18,24H,3-7,10,12,17,19H2,1-2H3
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1.70E+4n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139049
PNG
(CHEMBL3753732)
Show SMILES COc1cccc(CCCCCCCCN2CCCC(C2)OC(C)=O)c1
Show InChI InChI=1/C22H35NO3/c1-19(24)26-22-14-10-16-23(18-22)15-8-6-4-3-5-7-11-20-12-9-13-21(17-20)25-2/h9,12-13,17,22H,3-8,10-11,14-16,18H2,1-2H3
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1.90E+4n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139051
PNG
(CHEMBL3753070)
Show SMILES COc1cccc(CCCCCCCCN2CCCC(C2)OC(=O)N(C)C)c1
Show InChI InChI=1/C23H38N2O3/c1-24(2)23(26)28-22-15-11-17-25(19-22)16-9-7-5-4-6-8-12-20-13-10-14-21(18-20)27-3/h10,13-14,18,22H,4-9,11-12,15-17,19H2,1-3H3
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2.24E+4n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139007
PNG
(CHEMBL3754287)
Show SMILES COc1cccc(CCCCCCCCN2CCCC2)c1
Show InChI InChI=1S/C19H31NO/c1-21-19-13-10-12-18(17-19)11-6-4-2-3-5-7-14-20-15-8-9-16-20/h10,12-13,17H,2-9,11,14-16H2,1H3
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2.24E+4n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Mixed inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139053
PNG
(CHEMBL3752227)
Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC
Show InChI InChI=1S/C25H37NO2/c1-4-26(21-23-16-10-11-18-25(23)28-3)19-12-8-6-5-7-9-14-22-15-13-17-24(20-22)27-2/h10-11,13,15-18,20H,4-9,12,14,19,21H2,1-3H3
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2.44E+4n/an/an/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Non-competitive inhibition of electric eel acetylcholine esterase using acetylcholine iodide as substrate by Ellman's method


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 2.01E+3n/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholine esterase preincubated for 10 mins followed by the addition of 550 uM of acetylcholine iodide as substrate measured ...


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50139052
PNG
(CHEMBL3754700)
Show SMILES COc1cccc(CCCCCCCCNCc2ccccc2OC)c1
Show InChI InChI=1S/C23H33NO2/c1-25-22-15-11-13-20(18-22)12-7-5-3-4-6-10-17-24-19-21-14-8-9-16-23(21)26-2/h8-9,11,13-16,18,24H,3-7,10,12,17,19H2,1-2H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Inhibition of horse butyrylcholine esterase preincubated for 10 mins followed by the addition of butyrylcholine iodide as substrate measured after 5 ...


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50139053
PNG
(CHEMBL3752227)
Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC
Show InChI InChI=1S/C25H37NO2/c1-4-26(21-23-16-10-11-18-25(23)28-3)19-12-8-6-5-7-9-14-22-15-13-17-24(20-22)27-2/h10-11,13,15-18,20H,4-9,12,14,19,21H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Inhibition of horse butyrylcholine esterase preincubated for 10 mins followed by the addition of butyrylcholine iodide as substrate measured after 5 ...


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50139053
PNG
(CHEMBL3752227)
Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC
Show InChI InChI=1S/C25H37NO2/c1-4-26(21-23-16-10-11-18-25(23)28-3)19-12-8-6-5-7-9-14-22-15-13-17-24(20-22)27-2/h10-11,13,15-18,20H,4-9,12,14,19,21H2,1-3H3
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n/an/a 5.65E+3n/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholine esterase preincubated for 10 mins followed by the addition of 550 uM of acetylcholine iodide as substrate measured ...


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139053
PNG
(CHEMBL3752227)
Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC
Show InChI InChI=1S/C25H37NO2/c1-4-26(21-23-16-10-11-18-25(23)28-3)19-12-8-6-5-7-9-14-22-15-13-17-24(20-22)27-2/h10-11,13,15-18,20H,4-9,12,14,19,21H2,1-3H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50139006
PNG
(CHEMBL3753607)
Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1
Show InChI InChI=1S/C24H35NO/c1-3-25(21-23-15-10-8-11-16-23)19-12-7-5-4-6-9-14-22-17-13-18-24(20-22)26-2/h8,10-11,13,15-18,20H,3-7,9,12,14,19,21H2,1-2H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Inhibition of horse butyrylcholine esterase preincubated for 10 mins followed by the addition of butyrylcholine iodide as substrate measured after 5 ...


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139050
PNG
(CHEMBL3753906)
Show SMILES COc1cccc(CCCCCCCCN2CCC(C2)OC(=O)N(C)C)c1
Show InChI InChI=1/C22H36N2O3/c1-23(2)22(25)27-21-14-16-24(18-21)15-9-7-5-4-6-8-11-19-12-10-13-20(17-19)26-3/h10,12-13,17,21H,4-9,11,14-16,18H2,1-3H3
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n/an/a 1.37E+4n/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139051
PNG
(CHEMBL3753070)
Show SMILES COc1cccc(CCCCCCCCN2CCCC(C2)OC(=O)N(C)C)c1
Show InChI InChI=1/C23H38N2O3/c1-24(2)23(26)28-22-15-11-17-25(19-22)16-9-7-5-4-6-8-12-20-13-10-14-21(18-20)27-3/h10,13-14,18,22H,4-9,11-12,15-17,19H2,1-3H3
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n/an/a 1.43E+4n/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139006
PNG
(CHEMBL3753607)
Show SMILES CCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1
Show InChI InChI=1S/C24H35NO/c1-3-25(21-23-15-10-8-11-16-23)19-12-7-5-4-6-9-14-22-17-13-18-24(20-22)26-2/h8,10-11,13,15-18,20H,3-7,9,12,14,19,21H2,1-2H3
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n/an/a 1.61E+4n/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50139049
PNG
(CHEMBL3753732)
Show SMILES COc1cccc(CCCCCCCCN2CCCC(C2)OC(C)=O)c1
Show InChI InChI=1/C22H35NO3/c1-19(24)26-22-14-10-16-23(18-22)15-8-6-4-3-5-7-11-20-12-9-13-21(17-20)25-2/h9,12-13,17,22H,3-8,10-11,14-16,18H2,1-2H3
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n/an/a 1.61E+4n/an/an/an/an/an/a



University of Bras£lia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholine esterase preincubated for 10 mins followed by the addition of acetylcholine iodide as substrate measured aft...


Eur J Med Chem 108: 687-700 (2016)


BindingDB Entry DOI: 10.7270/Q20R9R7V
More data for this
Ligand-Target Pair
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