Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50041265 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 |
|---|
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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 | |
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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 M1
(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) | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | 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 | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50407222
(CHEMBL112244)Show SMILES CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C36H59N7O2/c1-41(28-17-9-5-13-23-37)26-15-7-3-4-8-16-27-42(2)29-18-10-6-14-24-38-30-34(44)43-33-22-12-11-20-31(33)36(45)40-32-21-19-25-39-35(32)43/h11-12,19-22,25,38H,3-10,13-18,23-24,26-30,37H2,1-2H3,(H,40,45) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description
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 M1
(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) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | 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 M1
(RAT) | BDBM50408529
(CHEMBL1202001)Show SMILES CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12 Show InChI InChI=1S/C50H68N10O4/c1-57(35-19-9-5-15-29-51-37-45(61)59-43-27-13-11-25-41(43)55-49(63)39-23-21-31-53-47(39)59)33-17-7-3-4-8-18-34-58(2)36-20-10-6-16-30-52-38-46(62)60-44-28-14-12-26-42(44)56-50(64)40-24-22-32-54-48(40)60/h11-14,21-28,31-32,51-52H,3-10,15-20,29-30,33-38H2,1-2H3,(H,55,63)(H,56,64) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | 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 M1
(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) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | 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 M1
(RAT) | BDBM50408533
(CHEMBL1202002)Show SMILES CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12 Show InChI InChI=1S/C78H86N16O8/c1-87(47-21-7-9-23-49-89(51-67(95)91-63-37-15-11-33-59(63)83-75(99)55-29-25-41-79-71(55)91)52-68(96)92-64-38-16-12-34-60(64)84-76(100)56-30-26-42-80-72(56)92)45-19-5-3-4-6-20-46-88(2)48-22-8-10-24-50-90(53-69(97)93-65-39-17-13-35-61(65)85-77(101)57-31-27-43-81-73(57)93)54-70(98)94-66-40-18-14-36-62(66)86-78(102)58-32-28-44-82-74(58)94/h11-18,25-44H,3-10,19-24,45-54H2,1-2H3,(H,83,99)(H,84,100)(H,85,101)(H,86,102) | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | 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 M1
(RAT) | BDBM50064176
(CHEMBL27673 | CHEMBL500996 | METHOCTRAMINE | N,N''...)Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3 | Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 42 | 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 M1
(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) | Reactome pathway
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PC cid
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PubMed
| 50 | 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 M1
(RAT) | BDBM50408532
(CHEMBL134692)Show SMILES CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCN Show InChI InChI=1S/C39H61N7O4/c1-44(35(47)23-9-7-14-26-40)30-17-5-3-4-6-18-31-45(2)36(48)24-10-8-15-27-41-28-16-13-25-37(49)46-34-22-12-11-20-32(34)39(50)43-33-21-19-29-42-38(33)46/h11-12,19-22,29,41H,3-10,13-18,23-28,30-31,40H2,1-2H3,(H,43,50) | Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63 | 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 M1
(RAT) | BDBM50408540
(CHEMBL335115)Show SMILES CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCN Show InChI InChI=1S/C36H55N7O4/c1-41(32(44)21-9-7-13-23-37)26-15-5-3-4-6-16-27-42(2)33(45)22-10-8-14-24-38-28-34(46)43-31-20-12-11-18-29(31)36(47)40-30-19-17-25-39-35(30)43/h11-12,17-20,25,38H,3-10,13-16,21-24,26-28,37H2,1-2H3,(H,40,47) | Reactome pathway
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UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 316 | 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 | |
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