Found 697 hits with Last Name = 'minarini' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(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) | Reactome pathway
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| DrugBank
Article
PubMed
| 0.224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Binding affinity measured in CHO cells expressing human cloned Alpha-1D adrenergic receptor expressed as pKi |
J Med Chem 46: 4895-903 (2003)
Article DOI: 10.1021/jm030952q
BindingDB Entry DOI: 10.7270/Q2ZK5KDG |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(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) | Reactome pathway
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UniChem
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| DrugBank
Article
PubMed
| 0.224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM82423
(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) | PDB
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UniChem
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| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by PDSP Ki Database
| |
Eur J Pharmacol 268: 459-62 (1994)
Article DOI: 10.1016/0922-4106(94)90075-2
BindingDB Entry DOI: 10.7270/Q2348HWT |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50282204
(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 | UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.282 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM82559
(methoctramine analog 5)Show SMILES CN(CCCCCCNCCCCCCCCNCCCCCCN(CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C60H75N13O3/c1-69(43-71-52-31-13-10-25-46(52)58(74)66-49-28-22-38-63-55(49)71)41-20-8-6-18-36-61-34-16-4-2-3-5-17-35-62-37-19-7-9-21-42-70(44-72-53-32-14-11-26-47(53)59(75)67-50-29-23-39-64-56(50)72)45-73-54-33-15-12-27-48(54)60(76)68-51-30-24-40-65-57(51)73/h10-15,22-33,38-40,61-62H,2-9,16-21,34-37,41-45H2,1H3,(H,66,74)(H,67,75)(H,68,76) | PDB
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by PDSP Ki Database
| |
J Med Chem 36: 3734-7 (1993)
Article DOI: 10.1021/jm00075a032
BindingDB Entry DOI: 10.7270/Q2W957Q0 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM82423
(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) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2 |
J Med Chem 41: 4150-60 (1998)
Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM82423
(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) | PDB
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| 0.302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM86731
(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) | Reactome pathway
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UniChem
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| DrugBank
Article
PubMed
| 0.324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50110300
(CHEMBL15056 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)Show SMILES C(COc1ccc(CCNc2c3CCCCc3nc3ccccc23)cc1)CN1CCCCC1 Show InChI InChI=1S/C29H37N3O/c1-6-19-32(20-7-1)21-8-22-33-24-15-13-23(14-16-24)17-18-30-29-25-9-2-4-11-27(25)31-28-12-5-3-10-26(28)29/h2,4,9,11,13-16H,1,3,5-8,10,12,17-22H2,(H,30,31) | PDB
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| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Binding affinity to 5HT3 receptor |
J Med Chem 51: 347-72 (2008)
Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50282204
(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 | Reactome pathway
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| PC cid
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| 0.331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50408535
(CHEMBL131865)Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C38H63N7O2/c1-43(31-17-9-5-13-25-39)29-15-7-3-4-8-16-30-44(2)32-18-10-6-14-26-40-27-20-24-36(46)45-35-23-12-11-21-33(35)38(47)42-34-22-19-28-41-37(34)45/h11-12,19,21-23,28,40H,3-10,13-18,20,24-27,29-32,39H2,1-2H3,(H,42,47) | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2 |
J Med Chem 41: 4150-60 (1998)
Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50403485
(CHEMBL292857)Show SMILES C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5| Show InChI InChI=1S/C23H26NO3/c1-24(2)19-13-14-20(24)16-22(15-19)26-21(25)23(27-22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1 | Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibiting [3H]pirenzepine Binding to Muscarinic receptor (M1) receptor in Rat Cortex Homogenates |
Bioorg Med Chem Lett 5: 2325-2330 (1995)
Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50403485
(CHEMBL292857)Show SMILES C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5| Show InChI InChI=1S/C23H26NO3/c1-24(2)19-13-14-20(24)16-22(15-19)26-21(25)23(27-22,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1 | Reactome pathway
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UniChem
Similars
| Article
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibiting [3H]pirenzepine Binding to Muscarinic receptor (M1) receptor in Rat Cortex Homogenates |
Bioorg Med Chem Lett 5: 2325-2330 (1995)
Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2 |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(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) | UniProtKB/SwissProt
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| Article
PubMed
| 0.407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM29568
(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) | UniProtKB/SwissProt
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PubMed
| 0.407 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Binding affinity measured in CHO cells expressing human cloned Alpha-1B adrenergic receptor expressed as pKi |
J Med Chem 46: 4895-903 (2003)
Article DOI: 10.1021/jm030952q
BindingDB Entry DOI: 10.7270/Q2ZK5KDG |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM69602
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3 | PDB
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| Article
PubMed
| 0.427 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Binding affinity measured in CHO cells expressing human cloned Alpha-1A adrenergic receptor expressed as pKi |
J Med Chem 46: 4895-903 (2003)
Article DOI: 10.1021/jm030952q
BindingDB Entry DOI: 10.7270/Q2ZK5KDG |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM69602
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3 | PDB
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PubMed
| 0.427 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Displacement of [3H]prazosin from human cloned Alpha-1A adrenergic receptor |
J Med Chem 42: 4214-24 (1999)
Article DOI: 10.1021/jm991065j
BindingDB Entry DOI: 10.7270/Q2TF012V |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50408530
(CHEMBL1202003)Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12 Show InChI InChI=1S/C67H80N10O6/c1-72(44-26-8-5-23-41-68-47-62(78)75-56-35-17-11-29-50(56)65(81)69-53-32-14-20-38-59(53)75)42-24-6-3-4-7-25-43-73(2)45-27-9-10-28-46-74(48-63(79)76-57-36-18-12-30-51(57)66(82)70-54-33-15-21-39-60(54)76)49-64(80)77-58-37-19-13-31-52(58)67(83)71-55-34-16-22-40-61(55)77/h11-22,29-40,68H,3-10,23-28,41-49H2,1-2H3,(H,69,81)(H,70,82)(H,71,83) | PDB
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| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2 |
J Med Chem 41: 4150-60 (1998)
Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50408535
(CHEMBL131865)Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C38H63N7O2/c1-43(31-17-9-5-13-25-39)29-15-7-3-4-8-16-30-44(2)32-18-10-6-14-26-40-27-20-24-36(46)45-35-23-12-11-21-33(35)38(47)42-34-22-19-28-41-37(34)45/h11-12,19,21-23,28,40H,3-10,13-18,20,24-27,29-32,39H2,1-2H3,(H,42,47) | Reactome pathway
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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Binding affinity for rat cortex Muscarinic acetylcholine receptor M1 |
J Med Chem 41: 4150-60 (1998)
Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM69602
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3 | Reactome pathway
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| 0.513 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Binding affinity measured in CHO cells expressing human cloned Alpha-1D adrenergic receptor expressed as pKi |
J Med Chem 46: 4895-903 (2003)
Article DOI: 10.1021/jm030952q
BindingDB Entry DOI: 10.7270/Q2ZK5KDG |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM69602
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3 | Reactome pathway
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| 0.513 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Displacement of [3H]prazosin from human cloned Alpha-1D adrenergic receptor |
J Med Chem 42: 4214-24 (1999)
Article DOI: 10.1021/jm991065j
BindingDB Entry DOI: 10.7270/Q2TF012V |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50176065
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1 | PDB
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| 0.513 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluation of antagonistic affinity against muscarinic receptor (M2) in guinea pig left atria |
Bioorg Med Chem Lett 5: 2325-2330 (1995)
Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2 |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50282202
(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 | UniProtKB/SwissProt
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| 0.525 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50408527
(CHEMBL1202004)Show SMILES CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12 Show InChI InChI=1S/C52H70N8O4/c1-57(37-23-9-5-19-33-53-39-49(61)59-45-29-15-11-25-41(45)51(63)55-43-27-13-17-31-47(43)59)35-21-7-3-4-8-22-36-58(2)38-24-10-6-20-34-54-40-50(62)60-46-30-16-12-26-42(46)52(64)56-44-28-14-18-32-48(44)60/h11-18,25-32,53-54H,3-10,19-24,33-40H2,1-2H3,(H,55,63)(H,56,64) | PDB
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| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2 |
J Med Chem 41: 4150-60 (1998)
Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50176065
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1 | Reactome pathway
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TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibiting [3H]pirenzepine Binding to Muscarinic receptor (M1) receptor in Rat Cortex Homogenates |
Bioorg Med Chem Lett 5: 2325-2330 (1995)
Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2 |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM29568
(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) | PDB
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| DrugBank
Article
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| 0.589 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM29568
(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) | PDB
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Article
PubMed
| 0.589 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Binding affinity measured in CHO cells expressing human cloned Alpha-1A adrenergic receptor expressed as pKi |
J Med Chem 46: 4895-903 (2003)
Article DOI: 10.1021/jm030952q
BindingDB Entry DOI: 10.7270/Q2ZK5KDG |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50282204
(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 | PDB
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| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | UniProtKB/SwissProt
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| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| 0.776 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50472355
(CHEMBL135974)Show SMILES O[C@H]1[C@H](CC[C@@H]1Oc1ccccc1)NC[C@H]1COc2ccccc2O1 Show InChI InChI=1S/C20H23NO4/c22-20-16(10-11-19(20)24-14-6-2-1-3-7-14)21-12-15-13-23-17-8-4-5-9-18(17)25-15/h1-9,15-16,19-22H,10-13H2/t15-,16-,19-,20-/m0/s1 | PDB
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| 0.832 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-hydroxy-2-(di-n-propylamino)tetralin from human 5-hydroxytryptamine 1A receptor |
J Med Chem 42: 4214-24 (1999)
Article DOI: 10.1021/jm991065j
BindingDB Entry DOI: 10.7270/Q2TF012V |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50408525
(CHEMBL1202000)Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12 Show InChI InChI=1S/C64H77N13O6/c1-72(41-20-8-5-17-35-65-44-56(78)75-53-32-14-11-29-50(53)69-62(81)47-26-23-36-66-59(47)75)39-18-6-3-4-7-19-40-73(2)42-21-9-10-22-43-74(45-57(79)76-54-33-15-12-30-51(54)70-63(82)48-27-24-37-67-60(48)76)46-58(80)77-55-34-16-13-31-52(55)71-64(83)49-28-25-38-68-61(49)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) | PDB
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| 0.910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2 |
J Med Chem 41: 4150-60 (1998)
Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| 0.933 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-hydroxy-2-(di-n-propylamino)tetralin from human 5-hydroxytryptamine 1A receptor |
J Med Chem 42: 4214-24 (1999)
Article DOI: 10.1021/jm991065j
BindingDB Entry DOI: 10.7270/Q2TF012V |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50408530
(CHEMBL1202003)Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12 Show InChI InChI=1S/C67H80N10O6/c1-72(44-26-8-5-23-41-68-47-62(78)75-56-35-17-11-29-50(56)65(81)69-53-32-14-20-38-59(53)75)42-24-6-3-4-7-25-43-73(2)45-27-9-10-28-46-74(48-63(79)76-57-36-18-12-30-51(57)66(82)70-54-33-15-21-39-60(54)76)49-64(80)77-58-37-19-13-31-52(58)67(83)71-55-34-16-22-40-61(55)77/h11-22,29-40,68H,3-10,23-28,41-49H2,1-2H3,(H,69,81)(H,70,82)(H,71,83) | Reactome pathway
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| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Binding affinity for rat cortex Muscarinic acetylcholine receptor M1 |
J Med Chem 41: 4150-60 (1998)
Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50176065
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M3) in Rat Submaxillary Gland |
Bioorg Med Chem Lett 5: 2325-2330 (1995)
Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2 |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | Reactome pathway
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Displacement of [3H]prazosin from human cloned Alpha-1D adrenergic receptor |
J Med Chem 42: 4214-24 (1999)
Article DOI: 10.1021/jm991065j
BindingDB Entry DOI: 10.7270/Q2TF012V |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM50408535
(CHEMBL131865)Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C38H63N7O2/c1-43(31-17-9-5-13-25-39)29-15-7-3-4-8-16-30-44(2)32-18-10-6-14-26-40-27-20-24-36(46)45-35-23-12-11-21-33(35)38(47)42-34-22-19-28-41-37(34)45/h11-12,19,21-23,28,40H,3-10,13-18,20,24-27,29-32,39H2,1-2H3,(H,42,47) | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4 |
J Med Chem 41: 4150-60 (1998)
Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM82423
(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) | UniProtKB/SwissProt
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| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by PDSP Ki Database
| |
Eur J Pharmacol 268: 459-62 (1994)
Article DOI: 10.1016/0922-4106(94)90075-2
BindingDB Entry DOI: 10.7270/Q2348HWT |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Compound was evaluated for concentration-dependent and oscillatory increase in [Ca2+], caused by activation of hNK3 receptors in CHO cells |
Bioorg Med Chem Lett 8: 1353-8 (1999)
BindingDB Entry DOI: 10.7270/Q2V69KRR |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM69602
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dim...)Show InChI InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3 | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-hydroxy-2-(di-n-propylamino)tetralin from human 5-hydroxytryptamine 1A receptor |
J Med Chem 42: 4214-24 (1999)
Article DOI: 10.1021/jm991065j
BindingDB Entry DOI: 10.7270/Q2TF012V |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50282202
(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 | Reactome pathway
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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 | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50408539
(CHEMBL407678)Show SMILES CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C64H73N13O8/c1-72(54(78)33-9-7-17-35-65-42-56(80)75-51-30-14-11-24-45(51)62(83)69-48-27-21-36-66-59(48)75)39-18-5-3-4-6-19-40-73(2)55(79)34-10-8-20-41-74(43-57(81)76-52-31-15-12-25-46(52)63(84)70-49-28-22-37-67-60(49)76)44-58(82)77-53-32-16-13-26-47(53)64(85)71-50-29-23-38-68-61(50)77/h11-16,21-32,36-38,65H,3-10,17-20,33-35,39-44H2,1-2H3,(H,69,83)(H,70,84)(H,71,85) | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to rat heart Muscarinic acetylcholine receptor M2 |
J Med Chem 41: 4150-60 (1998)
Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50231951
(2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamin...)Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3 | PDB
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of human AchE |
J Med Chem 51: 347-72 (2008)
Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50231951
(2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamin...)Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3 | PDB
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| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of AChE |
J Med Chem 53: 5906-14 (2010)
Article DOI: 10.1021/jm100293f
BindingDB Entry DOI: 10.7270/Q2B56JXF |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM50408527
(CHEMBL1202004)Show SMILES CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12 Show InChI InChI=1S/C52H70N8O4/c1-57(37-23-9-5-19-33-53-39-49(61)59-45-29-15-11-25-41(45)51(63)55-43-27-13-17-31-47(43)59)35-21-7-3-4-8-22-36-58(2)38-24-10-6-20-34-54-40-50(62)60-46-30-16-12-26-42(46)52(64)56-44-28-14-18-32-48(44)60/h11-18,25-32,53-54H,3-10,19-24,33-40H2,1-2H3,(H,55,63)(H,56,64) | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of NG 108-15 binding to Muscarinic acetylcholine receptor M4 |
J Med Chem 41: 4150-60 (1998)
Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50403484
(CHEMBL306182)Show SMILES C[N+]1(C)CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24NO3/c1-22(2)15-13-20(14-16-22)24-19(23)21(25-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1 | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M2) in Rat Heart |
Bioorg Med Chem Lett 5: 2325-2330 (1995)
Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2 |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM39341
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)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) | UniProtKB/SwissProt
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| 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 1/REST corepressor 3
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)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) | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmcl.2018.02.034
BindingDB Entry DOI: 10.7270/Q2280B78 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50408535
(CHEMBL131865)Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C38H63N7O2/c1-43(31-17-9-5-13-25-39)29-15-7-3-4-8-16-30-44(2)32-18-10-6-14-26-40-27-20-24-36(46)45-35-23-12-11-21-33(35)38(47)42-34-22-19-28-41-37(34)45/h11-12,19,21-23,28,40H,3-10,13-18,20,24-27,29-32,39H2,1-2H3,(H,42,47) | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
Inhibition of [3H]NMS binding to rat submaxillary gland Muscarinic acetylcholine receptor M3 |
J Med Chem 41: 4150-60 (1998)
Checked by Author
Article DOI: 10.1021/jm981038d
BindingDB Entry DOI: 10.7270/Q2KH0PJH |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(RAT) | BDBM50403484
(CHEMBL306182)Show SMILES C[N+]1(C)CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H24NO3/c1-22(2)15-13-20(14-16-22)24-19(23)21(25-20,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3/q+1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibiting [3H]N-Methyl-scopolamine Binding to Muscarinic receptor (M3) in Rat Submaxillary Gland |
Bioorg Med Chem Lett 5: 2325-2330 (1995)
Article DOI: 10.1016/0960-894X(95)00403-G
BindingDB Entry DOI: 10.7270/Q28G8MW2 |
More data for this
Ligand-Target Pair | |
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