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Compile Data Set for Download or QSAR

Found 360 hits from Alma Mater Studiorum-University of Bologna   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha adrenergic receptor (1a and 1d)


(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)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50282204
PNG
(CHEMBL4161165)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)c1ccco1
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)

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


(Homo sapiens (Human))
BDBM82423
PNG
(CAS_132947 | NSC_132947 | TRIPITRAMINE)
Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
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0.302n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM86731
PNG
(CAS_74191-85-8 | DOXAZOSIN | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50282204
PNG
(CHEMBL4161165)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)c1ccco1
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)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(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)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50282202
PNG
(CHEMBL4163587)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC1=CC(=O)c2ccccc2C1=O
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)

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)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM86731
PNG
(CAS_74191-85-8 | DOXAZOSIN | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1/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)

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
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)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM86731
PNG
(CAS_74191-85-8 | DOXAZOSIN | Doxazosin | UK 33,274)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Show InChI InChI=1/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50282202
PNG
(CHEMBL4163587)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC1=CC(=O)c2ccccc2C1=O
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)

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


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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2.82n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
HDAC1/REST corepressor 3


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
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3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/CoREST3 in HEK293 whole cell extract using fluorescent acetylated histone peptide as substrate after 60 mins by fluorescence base...


Bioorg Med Chem Lett 28: 1001-1004 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412313
PNG
(CHEMBL2021478)
Show SMILES CN(C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/s2
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3.47n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM82423
PNG
(CAS_132947 | NSC_132947 | TRIPITRAMINE)
Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
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3.55n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412315
PNG
(CHEMBL2021476)
Show SMILES CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/s2
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3.98n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412312
PNG
(CHEMBL2021479)
Show SMILES CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/s2
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4.47n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50412314
PNG
(CHEMBL2021477)
Show SMILES CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/s2
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5.37n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M2 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412313
PNG
(CHEMBL2021478)
Show SMILES CN(C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/s2
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6.31n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
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
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)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50282203
PNG
(CHEMBL4160032)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@@H]1COc2ccccc2O1
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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM82423
PNG
(CAS_132947 | NSC_132947 | TRIPITRAMINE)
Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12
Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-26-47(53)62(81)69-50-29-23-36-66-59(50)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-27-48(54)63(82)70-51-30-24-37-67-60(51)76)46-58(80)77-55-34-16-13-28-49(55)64(83)71-52-31-25-38-68-61(52)77/h11-16,23-34,36-38,65H,3-10,17-22,35,39-46H2,1-2H3,(H,69,81)(H,70,82)(H,71,83)
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11.5n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412313
PNG
(CHEMBL2021478)
Show SMILES CN(C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/s2
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12.3n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412312
PNG
(CHEMBL2021479)
Show SMILES CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/s2
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12.6n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412315
PNG
(CHEMBL2021476)
Show SMILES CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/s2
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12.9n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50282203
PNG
(CHEMBL4160032)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@@H]1COc2ccccc2O1
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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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13.8n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412312
PNG
(CHEMBL2021479)
Show SMILES CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/s2
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15.8n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
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
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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50412314
PNG
(CHEMBL2021477)
Show SMILES CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/s2
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18.6n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M4 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412315
PNG
(CHEMBL2021476)
Show SMILES CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/s2
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22.4n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50282197
PNG
(CHEMBL4171491)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC1=CC(=O)c2ccccc2C1=O
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)

More data for this
Ligand-Target Pair
HDAC1/REST corepressor 3


(Homo sapiens (Human))
BDBM50460385
PNG
(CHEMBL4228572)
Show SMILES Cl.Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)CCC(=O)NCCCNCCCNC(=O)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1
Show InChI InChI=1S/C34H49N7O6.2ClH/c35-29-23-28(29)24-9-13-26(14-10-24)40-32(44)18-17-30(42)37-21-5-19-36-20-6-22-38-34(46)25-11-15-27(16-12-25)39-31(43)7-3-1-2-4-8-33(45)41-47;;/h9-16,28-29,36,47H,1-8,17-23,35H2,(H,37,42)(H,38,46)(H,39,43)(H,40,44)(H,41,45);2*1H/t28-,29+;;/m0../s1
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27n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of HDAC1/CoREST3 in HEK293 whole cell extract using fluorescent acetylated histone peptide as substrate after 60 mins by fluorescence base...


Bioorg Med Chem Lett 28: 1001-1004 (2018)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50282201
PNG
(CHEMBL4163810)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](N)C1
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)

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
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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50282197
PNG
(CHEMBL4171491)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC1=CC(=O)c2ccccc2C1=O
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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50282205
PNG
(CHEMBL4171710)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)c1ccco1
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)

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


(Homo sapiens (Human))
BDBM50412314
PNG
(CHEMBL2021477)
Show SMILES CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/s2
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39.8n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412312
PNG
(CHEMBL2021479)
Show SMILES CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/s2
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40.7n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
HDAC1/REST corepressor 3


(Homo sapiens (Human))
BDBM50460386
PNG
(CHEMBL4228166)
Show SMILES Cl.Cl.Cl.N[C@@H]1C[C@H]1c1ccc(NC(=O)CCC(=O)NCCCNCCCCNCCCNC(=O)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)cc1
Show InChI InChI=1S/C38H58N8O6.3ClH/c39-33-27-32(33)28-11-15-30(16-12-28)45-36(49)20-19-34(47)42-25-7-23-40-21-5-6-22-41-24-8-26-43-38(51)29-13-17-31(18-14-29)44-35(48)9-3-1-2-4-10-37(50)46-52;;;/h11-18,32-33,40-41,52H,1-10,19-27,39H2,(H,42,47)(H,43,51)(H,44,48)(H,45,49)(H,46,50);3*1H/t32-,33+;;;/m0.../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
Inhibition of HDAC1/CoREST3 in HEK293 whole cell extract using fluorescent acetylated histone peptide as substrate after 60 mins by fluorescence base...


Bioorg Med Chem Lett 28: 1001-1004 (2018)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50282205
PNG
(CHEMBL4171710)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)c1ccco1
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)

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


(Homo sapiens (Human))
BDBM50412315
PNG
(CHEMBL2021476)
Show SMILES CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/s2
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44.7n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50412314
PNG
(CHEMBL2021477)
Show SMILES CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22-/s2
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45.7n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M1 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50282198
PNG
(CHEMBL4159468)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](C1)NC(=O)[C@H]1COc2ccccc2O1
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)

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


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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47.9n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50412313
PNG
(CHEMBL2021478)
Show SMILES CN(C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12
Show InChI InChI=1/C24H30N4O2/c1-26(2)21-14-8-9-15-22(21)27(3)16-23(29)28-19-12-6-4-10-17(19)24(30)25-18-11-5-7-13-20(18)28/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,25,30)/t21-,22+/s2
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49.0n/an/an/an/an/an/an/an/a



Alma Mater Studiorum-University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine chloride from human cloned muscarinic M3 receptor expressed in CHOK1 cells


Bioorg Med Chem 16: 7311-20 (2008)


Article DOI: 10.1016/j.bmc.2008.06.025
BindingDB Entry DOI: 10.7270/Q24F1S07
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50282206
PNG
(CHEMBL4170675)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@H]1COc2ccccc2O1
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)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50282201
PNG
(CHEMBL4163810)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@H](N)C1
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)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50282206
PNG
(CHEMBL4170675)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCC[C@@H](C1)NC(=O)[C@H]1COc2ccccc2O1
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)

More data for this
Ligand-Target Pair
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