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Compile Data Set for Download or QSAR

Found 579 hits with Last Name = 'tarozzi' 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
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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 0.224n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50282204
PNG
(CHEMBL4161165)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)c1ccco1 |r|
Show InChI InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m0/s1
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 0.282n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM86731
PNG
(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
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 0.324n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50282204
PNG
(CHEMBL4161165)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)c1ccco1 |r|
Show InChI InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m0/s1
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 0.331n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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 0.407n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50282202
PNG
(CHEMBL4163587)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC1=CC(=O)c2ccccc2C1=O |r,t:25|
Show InChI InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m0/s1
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 0.525n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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 0.589n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50282204
PNG
(CHEMBL4161165)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)c1ccco1 |r|
Show InChI InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m0/s1
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 0.631n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM86731
PNG
(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
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 0.631n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM86731
PNG
(CAS_74191-85-8 | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
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 0.776n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50282202
PNG
(CHEMBL4163587)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC1=CC(=O)c2ccccc2C1=O |r,t:25|
Show InChI InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m0/s1
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 2.10n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50516288
PNG
(CHEMBL4530405)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(C)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H24FNO3/c1-32(19-20-7-13-23(31)14-8-20)24-15-9-21(10-16-24)29(33)28-26-5-3-4-6-27(26)35-30(28)22-11-17-25(34-2)18-12-22/h3-18H,19H2,1-2H3
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 2.70n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50282202
PNG
(CHEMBL4163587)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC1=CC(=O)c2ccccc2C1=O |r,t:25|
Show InChI InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m0/s1
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 7.10n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50282203
PNG
(CHEMBL4160032)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H27N5O5/c1-31-19-10-15-16(11-20(19)32-2)27-24(28-22(15)25)29-9-5-6-14(12-29)26-23(30)21-13-33-17-7-3-4-8-18(17)34-21/h3-4,7-8,10-11,14,21H,5-6,9,12-13H2,1-2H3,(H,26,30)(H2,25,27,28)/t14-,21-/m0/s1
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 7.40n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50282203
PNG
(CHEMBL4160032)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H27N5O5/c1-31-19-10-15-16(11-20(19)32-2)27-24(28-22(15)25)29-9-5-6-14(12-29)26-23(30)21-13-33-17-7-3-4-8-18(17)34-21/h3-4,7-8,10-11,14,21H,5-6,9,12-13H2,1-2H3,(H,26,30)(H2,25,27,28)/t14-,21-/m0/s1
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 13n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50282206
PNG
(CHEMBL4170675)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H27N5O5/c1-31-19-10-15-16(11-20(19)32-2)27-24(28-22(15)25)29-9-5-6-14(12-29)26-23(30)21-13-33-17-7-3-4-8-18(17)34-21/h3-4,7-8,10-11,14,21H,5-6,9,12-13H2,1-2H3,(H,26,30)(H2,25,27,28)/t14-,21+/m0/s1
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 18n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50516303
PNG
(CHEMBL4473425)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C30H22N2O3/c1-34-25-16-12-23(13-17-25)30-28(26-4-2-3-5-27(26)35-30)29(33)22-10-14-24(15-11-22)32-19-21-8-6-20(18-31)7-9-21/h2-17,32H,19H2,1H3
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 20n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50516288
PNG
(CHEMBL4530405)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(C)Cc1ccc(F)cc1
Show InChI InChI=1S/C30H24FNO3/c1-32(19-20-7-13-23(31)14-8-20)24-15-9-21(10-16-24)29(33)28-26-5-3-4-6-27(26)35-30(28)22-11-17-25(34-2)18-12-22/h3-18H,19H2,1-2H3
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 20n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50516290
PNG
(CHEMBL4442990)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H22FNO3/c1-33-24-16-10-21(11-17-24)29-27(25-4-2-3-5-26(25)34-29)28(32)20-8-14-23(15-9-20)31-18-19-6-12-22(30)13-7-19/h2-17,31H,18H2,1H3
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 20n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50282197
PNG
(CHEMBL4171491)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC1=CC(=O)c2ccccc2C1=O |r,t:25|
Show InChI InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m1/s1
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 25n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50282201
PNG
(CHEMBL4163810)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C15H21N5O2/c1-21-12-6-10-11(7-13(12)22-2)18-15(19-14(10)17)20-5-3-4-9(16)8-20/h6-7,9H,3-5,8,16H2,1-2H3,(H2,17,18,19)/t9-/m0/s1
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 28n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Compound was measured for the apparent inhibition constant at pepsin

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50282203
PNG
(CHEMBL4160032)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H27N5O5/c1-31-19-10-15-16(11-20(19)32-2)27-24(28-22(15)25)29-9-5-6-14(12-29)26-23(30)21-13-33-17-7-3-4-8-18(17)34-21/h3-4,7-8,10-11,14,21H,5-6,9,12-13H2,1-2H3,(H,26,30)(H2,25,27,28)/t14-,21-/m0/s1
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 33n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50282197
PNG
(CHEMBL4171491)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC1=CC(=O)c2ccccc2C1=O |r,t:25|
Show InChI InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m1/s1
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 34n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50282205
PNG
(CHEMBL4171710)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)c1ccco1 |r|
Show InChI InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m1/s1
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 37n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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 38n/an/an/an/an/an/an/an/a



PeQuiM- Laboratory of Research in Medicinal Chemistry, Institute of Chemistry, Federal University of Alfenas, 37130-000, Alfenas, MG, Brazil.

Curated by ChEMBL


Assay Description
Non-competitive inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate ...

Eur J Med Chem 130: 440-457 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.043
BindingDB Entry DOI: 10.7270/Q2VX0JXD
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50282205
PNG
(CHEMBL4171710)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)c1ccco1 |r|
Show InChI InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m1/s1
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 43n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50282198
PNG
(CHEMBL4159468)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H27N5O5/c1-31-19-10-15-16(11-20(19)32-2)27-24(28-22(15)25)29-9-5-6-14(12-29)26-23(30)21-13-33-17-7-3-4-8-18(17)34-21/h3-4,7-8,10-11,14,21H,5-6,9,12-13H2,1-2H3,(H,26,30)(H2,25,27,28)/t14-,21-/m1/s1
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 47n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50282206
PNG
(CHEMBL4170675)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H27N5O5/c1-31-19-10-15-16(11-20(19)32-2)27-24(28-22(15)25)29-9-5-6-14(12-29)26-23(30)21-13-33-17-7-3-4-8-18(17)34-21/h3-4,7-8,10-11,14,21H,5-6,9,12-13H2,1-2H3,(H,26,30)(H2,25,27,28)/t14-,21+/m0/s1
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 49n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50282201
PNG
(CHEMBL4163810)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C15H21N5O2/c1-21-12-6-10-11(7-13(12)22-2)18-15(19-14(10)17)20-5-3-4-9(16)8-20/h6-7,9H,3-5,8,16H2,1-2H3,(H2,17,18,19)/t9-/m0/s1
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 55n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50282206
PNG
(CHEMBL4170675)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H27N5O5/c1-31-19-10-15-16(11-20(19)32-2)27-24(28-22(15)25)29-9-5-6-14(12-29)26-23(30)21-13-33-17-7-3-4-8-18(17)34-21/h3-4,7-8,10-11,14,21H,5-6,9,12-13H2,1-2H3,(H,26,30)(H2,25,27,28)/t14-,21+/m0/s1
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 63n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50516291
PNG
(CHEMBL4454301)
Show SMILES CCCCCNc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C27H27NO3/c1-3-4-7-18-28-21-14-10-19(11-15-21)26(29)25-23-8-5-6-9-24(23)31-27(25)20-12-16-22(30-2)17-13-20/h5-6,8-17,28H,3-4,7,18H2,1-2H3
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 70n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50516291
PNG
(CHEMBL4454301)
Show SMILES CCCCCNc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C27H27NO3/c1-3-4-7-18-28-21-14-10-19(11-15-21)26(29)25-23-8-5-6-9-24(23)31-27(25)20-12-16-22(30-2)17-13-20/h5-6,8-17,28H,3-4,7,18H2,1-2H3
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 80n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50282199
PNG
(CHEMBL4174168)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C15H21N5O2/c1-21-12-6-10-11(7-13(12)22-2)18-15(19-14(10)17)20-5-3-4-9(16)8-20/h6-7,9H,3-5,8,16H2,1-2H3,(H2,17,18,19)/t9-/m1/s1
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 102n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50282205
PNG
(CHEMBL4171710)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)c1ccco1 |r|
Show InChI InChI=1S/C20H23N5O4/c1-27-16-9-13-14(10-17(16)28-2)23-20(24-18(13)21)25-7-3-5-12(11-25)22-19(26)15-6-4-8-29-15/h4,6,8-10,12H,3,5,7,11H2,1-2H3,(H,22,26)(H2,21,23,24)/t12-/m1/s1
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 110n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50516298
PNG
(CHEMBL4520615)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCC2CC2)cc1
Show InChI InChI=1S/C26H23NO3/c1-29-21-14-10-19(11-15-21)26-24(22-4-2-3-5-23(22)30-26)25(28)18-8-12-20(13-9-18)27-16-17-6-7-17/h2-5,8-15,17,27H,6-7,16H2,1H3
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 110n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50282197
PNG
(CHEMBL4171491)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC1=CC(=O)c2ccccc2C1=O |r,t:25|
Show InChI InChI=1S/C25H25N5O4/c1-33-21-10-17-18(12-22(21)34-2)28-25(29-24(17)26)30-9-5-6-14(13-30)27-19-11-20(31)15-7-3-4-8-16(15)23(19)32/h3-4,7-8,10-12,14,27H,5-6,9,13H2,1-2H3,(H2,26,28,29)/t14-/m1/s1
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 120n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50516289
PNG
(CHEMBL4527727)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C33H31NO4/c1-34(23-24-9-4-3-5-10-24)21-8-22-37-28-19-13-25(14-20-28)32(35)31-29-11-6-7-12-30(29)38-33(31)26-15-17-27(36-2)18-16-26/h3-7,9-20H,8,21-23H2,1-2H3
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 120n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM10512
PNG
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
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 155 -40.4 0.253n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...

J Med Chem 48: 360-3 (2005)


Article DOI: 10.1021/jm049112h
BindingDB Entry DOI: 10.7270/Q2JQ0Z7J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50516300
PNG
(CHEMBL4464357)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCc2ccccc2)cc1
Show InChI InChI=1S/C29H23NO3/c1-32-24-17-13-22(14-18-24)29-27(25-9-5-6-10-26(25)33-29)28(31)21-11-15-23(16-12-21)30-19-20-7-3-2-4-8-20/h2-18,30H,19H2,1H3
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 170n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50282199
PNG
(CHEMBL4174168)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C15H21N5O2/c1-21-12-6-10-11(7-13(12)22-2)18-15(19-14(10)17)20-5-3-4-9(16)8-20/h6-7,9H,3-5,8,16H2,1-2H3,(H2,17,18,19)/t9-/m1/s1
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 178n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Binding affinity towards Thromboxane A2/ Prostaglandin H2 receptor in human platelet membranes using [125I]- as the radioligand.

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50282201
PNG
(CHEMBL4163810)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1S/C15H21N5O2/c1-21-12-6-10-11(7-13(12)22-2)18-15(19-14(10)17)20-5-3-4-9(16)8-20/h6-7,9H,3-5,8,16H2,1-2H3,(H2,17,18,19)/t9-/m0/s1
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 191n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50282198
PNG
(CHEMBL4159468)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)[C@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H27N5O5/c1-31-19-10-15-16(11-20(19)32-2)27-24(28-22(15)25)29-9-5-6-14(12-29)26-23(30)21-13-33-17-7-3-4-8-18(17)34-21/h3-4,7-8,10-11,14,21H,5-6,9,12-13H2,1-2H3,(H,26,30)(H2,25,27,28)/t14-,21-/m1/s1
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 295n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50516295
PNG
(CHEMBL4473103)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCc2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C29H21F2NO3/c1-34-24-12-8-20(9-13-24)29-27(25-4-2-3-5-26(25)35-29)28(33)19-6-10-23(11-7-19)32-17-18-14-21(30)16-22(31)15-18/h2-16,32H,17H2,1H3
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 300n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50282200
PNG
(CHEMBL4167693)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)[C@@H]1COc2ccccc2O1 |r|
Show InChI InChI=1S/C24H27N5O5/c1-31-19-10-15-16(11-20(19)32-2)27-24(28-22(15)25)29-9-5-6-14(12-29)26-23(30)21-13-33-17-7-3-4-8-18(17)34-21/h3-4,7-8,10-11,14,21H,5-6,9,12-13H2,1-2H3,(H,26,30)(H2,25,27,28)/t14-,21+/m1/s1
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 316n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


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

Eur J Med Chem 136: 259-269 (2017)


Article DOI: 10.1016/j.ejmech.2017.05.003
BindingDB Entry DOI: 10.7270/Q2W95CQN
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50261233
PNG
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)
Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C36H37NO3/c1-37(27-28-15-7-5-8-16-28)25-13-3-2-4-14-26-39-31-23-21-30(22-24-31)36-34(32-19-11-12-20-33(32)40-36)35(38)29-17-9-6-10-18-29/h5-12,15-24H,2-4,13-14,25-27H2,1H3
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 320n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins

Eur J Med Chem 58: 519-32 (2012)


Article DOI: 10.1016/j.ejmech.2012.10.045
BindingDB Entry DOI: 10.7270/Q2XW4KW5
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50516299
PNG
(CHEMBL4471684)
Show SMILES CCCCCCCNc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OC)cc1
Show InChI InChI=1S/C29H31NO3/c1-3-4-5-6-9-20-30-23-16-12-21(13-17-23)28(31)27-25-10-7-8-11-26(25)33-29(27)22-14-18-24(32-2)19-15-22/h7-8,10-19,30H,3-6,9,20H2,1-2H3
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 410n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50516292
PNG
(CHEMBL4587421)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C32H29NO4/c1-33(22-23-8-4-3-5-9-23)20-21-36-27-18-12-24(13-19-27)31(34)30-28-10-6-7-11-29(28)37-32(30)25-14-16-26(35-2)17-15-25/h3-19H,20-22H2,1-2H3
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 430n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50516287
PNG
(CHEMBL4543379)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1
Show InChI InChI=1S/C36H27F2NO3/c1-41-31-20-12-27(13-21-31)36-34(32-4-2-3-5-33(32)42-36)35(40)26-10-18-30(19-11-26)39(22-24-6-14-28(37)15-7-24)23-25-8-16-29(38)17-9-25/h2-21H,22-23H2,1H3
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 430n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB2 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50516298
PNG
(CHEMBL4520615)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(NCC2CC2)cc1
Show InChI InChI=1S/C26H23NO3/c1-29-21-14-10-19(11-15-21)26-24(22-4-2-3-5-23(22)30-26)25(28)18-8-12-20(13-9-18)27-16-17-6-7-17/h2-5,8-15,17,27H,6-7,16H2,1H3
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 470n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50516289
PNG
(CHEMBL4527727)
Show SMILES COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(OCCCN(C)Cc2ccccc2)cc1
Show InChI InChI=1S/C33H31NO4/c1-34(23-24-9-4-3-5-10-24)21-8-22-37-28-19-13-25(14-20-28)32(35)31-29-11-6-7-12-30(29)38-33(31)26-15-17-27(36-2)18-16-26/h3-7,9-20H,8,21-23H2,1-2H3
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 500n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of 3[H]-CP55940 from human recombinant CB1 receptor expressed in HEK293 cell membranes measured after 90 mins by Cheng-Prusoff equation ...

Eur J Med Chem 178: 243-258 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.080
BindingDB Entry DOI: 10.7270/Q2VX0KVX
More data for this
Ligand-Target Pair
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