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Compile Data Set for Download or QSAR

Found 89 hits with Last Name = 'cacciaguerra' and Initial = 's'   
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
Muscarinic acetylcholine receptor M2


(RAT)
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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0.300n/an/an/an/an/an/an/an/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


(RAT)
BDBM50408535
PNG
(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)
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0.370n/an/an/an/an/an/an/an/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


(RAT)
BDBM50408530
PNG
(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)
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0.440n/an/an/an/an/an/an/an/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
PNG
(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)
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0.5n/an/an/an/an/an/an/an/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 M2


(RAT)
BDBM50408527
PNG
(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)
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0.560n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50063800
PNG
(3-(2-Piperidin-1-yl-ethyl)-6-propyl-3H-benzothiazo...)
Show SMILES CCCc1ccc2n(CCN3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C17H24N2OS/c1-2-6-14-7-8-15-16(13-14)21-17(20)19(15)12-11-18-9-4-3-5-10-18/h7-8,13H,2-6,9-12H2,1H3
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0.600n/an/an/an/an/an/an/an/a



University of Louvain

Curated by ChEMBL


Assay Description
The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand


J Med Chem 41: 1138-45 (1998)


Article DOI: 10.1021/jm970682+
BindingDB Entry DOI: 10.7270/Q29S1Q5N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50408525
PNG
(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)
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0.910n/an/an/an/an/an/an/an/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)
BDBM50408530
PNG
(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)
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0.950n/an/an/an/an/an/an/an/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 M4


(RAT)
BDBM50408535
PNG
(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)
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1.40n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.60n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiroperidol binding to Dopamine receptor D2 of rat striatal membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50408539
PNG
(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)
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2.5n/an/an/an/an/an/an/an/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 M4


(RAT)
BDBM50408527
PNG
(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)
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2.80n/an/an/an/an/an/an/an/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 M3


(RAT)
BDBM50408535
PNG
(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)
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3n/an/an/an/an/an/an/an/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 M1


(RAT)
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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3.5n/an/an/an/an/an/an/an/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
PNG
(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)
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4.40n/an/an/an/an/an/an/an/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 M2


(RAT)
BDBM50408532
PNG
(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)
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5.60n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064196
PNG
((2S,6R,11S)-6,11-Dimethyl-3-[2-(methyl-phenyl-amin...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C23H30N2O/c1-17-22-15-18-9-10-20(26)16-21(18)23(17,2)11-12-25(22)14-13-24(3)19-7-5-4-6-8-19/h4-10,16-17,22,26H,11-15H2,1-3H3/t17-,22+,23-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064195
PNG
((2S,6R,11S)-6,11-Dimethyl-3-(2-phenylamino-ethyl)-...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1ccccc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C22H28N2O/c1-16-21-14-17-8-9-19(25)15-20(17)22(16,2)10-12-24(21)13-11-23-18-6-4-3-5-7-18/h3-9,15-16,21,23,25H,10-14H2,1-2H3/t16-,21+,22-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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6.10n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064191
PNG
((2S,6R,11S)-6,11-Dimethyl-3-(2-pyrrolidin-1-yl-eth...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C20H30N2O/c1-15-19-13-16-5-6-17(23)14-18(16)20(15,2)7-10-22(19)12-11-21-8-3-4-9-21/h5-6,14-15,19,23H,3-4,7-13H2,1-2H3/t15-,19+,20-/m1/s1
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7.40n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50407222
PNG
(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)
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7.80n/an/an/an/an/an/an/an/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


(RAT)
BDBM50408533
PNG
(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)
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9.30n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064193
PNG
((2S,6R,11S)-6,11-Dimethyl-3-(2-piperidin-1-yl-ethy...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C21H32N2O/c1-16-20-14-17-6-7-18(24)15-19(17)21(16,2)8-11-23(20)13-12-22-9-4-3-5-10-22/h6-7,15-16,20,24H,3-5,8-14H2,1-2H3/t16-,20+,21-/m1/s1
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9.60n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
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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11n/an/an/an/an/an/an/an/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


(RAT)
BDBM50408525
PNG
(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)
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13n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064188
PNG
((2S,6R,11S)-6,11-Dimethyl-3-(2-morpholin-4-yl-ethy...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCOCC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C20H30N2O2/c1-15-19-13-16-3-4-17(23)14-18(16)20(15,2)5-6-22(19)8-7-21-9-11-24-12-10-21/h3-4,14-15,19,23H,5-13H2,1-2H3/t15-,19+,20-/m1/s1
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13n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50408529
PNG
(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)
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14n/an/an/an/an/an/an/an/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
PNG
(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)
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15n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064190
PNG
((2S,6R,11S)-3-(2-Diethylamino-ethyl)-6,11-dimethyl...)
Show SMILES CCN(CC)CCN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21 |TLB:6:7:12:22.16.15|
Show InChI InChI=1S/C20H32N2O/c1-5-21(6-2)11-12-22-10-9-20(4)15(3)19(22)13-16-7-8-17(23)14-18(16)20/h7-8,14-15,19,23H,5-6,9-13H2,1-4H3/t15-,19+,20-/m1/s1
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15n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50407222
PNG
(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)
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16n/an/an/an/an/an/an/an/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 M4


(RAT)
BDBM50408540
PNG
(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)
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20n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064187
PNG
((2S,6R,11S)-3-(2-Azepan-1-yl-ethyl)-6,11-dimethyl-...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C22H34N2O/c1-17-21-15-18-7-8-19(25)16-20(18)22(17,2)9-12-24(21)14-13-23-10-5-3-4-6-11-23/h7-8,16-17,21,25H,3-6,9-15H2,1-2H3/t17-,21+,22-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50064176
PNG
(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
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20n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064189
PNG
((2S,6R,11S)-3-(2-Dimethylamino-ethyl)-6,11-dimethy...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)C |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C18H28N2O/c1-13-17-11-14-5-6-15(21)12-16(14)18(13,2)7-8-20(17)10-9-19(3)4/h5-6,12-13,17,21H,7-11H2,1-4H3/t13-,17+,18-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50408529
PNG
(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)
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21n/an/an/an/an/an/an/an/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)
BDBM50408533
PNG
(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)
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25n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064197
PNG
((2S,6R,11S)-3-(2-Benzylamino-ethyl)-6,11-dimethyl-...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNCc1ccccc1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C23H30N2O/c1-17-22-14-19-8-9-20(26)15-21(19)23(17,2)10-12-25(22)13-11-24-16-18-6-4-3-5-7-18/h3-9,15,17,22,24,26H,10-14,16H2,1-2H3/t17-,22+,23-/m1/s1
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30n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50064176
PNG
(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
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32n/an/an/an/an/an/an/an/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 M4


(RAT)
BDBM50408529
PNG
(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)
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36n/an/an/an/an/an/an/an/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 M4


(RAT)
BDBM50408525
PNG
(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)
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40n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064194
PNG
((2S,6R,11S)-3-(2-Cyclohexylamino-ethyl)-6,11-dimet...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNC1CCCCC1 |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C22H34N2O/c1-16-21-14-17-8-9-19(25)15-20(17)22(16,2)10-12-24(21)13-11-23-18-6-4-3-5-7-18/h8-9,15-16,18,21,23,25H,3-7,10-14H2,1-2H3/t16-,21+,22-/m1/s1
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42n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50064176
PNG
(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
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42n/an/an/an/an/an/an/an/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 M4


(RAT)
BDBM50408530
PNG
(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)
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42n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50064192
PNG
((2S,6R,11S)-3-[2-(Ethyl-phenyl-amino)-ethyl]-6,11-...)
Show SMILES CCN(CCN1CC[C@]2(C)[C@H](C)[C@@H]1Cc1ccc(O)cc21)c1ccccc1 |TLB:4:5:10:20.14.13|
Show InChI InChI=1S/C24H32N2O/c1-4-25(20-8-6-5-7-9-20)14-15-26-13-12-24(3)18(2)23(26)16-19-10-11-21(27)17-22(19)24/h5-11,17-18,23,27H,4,12-16H2,1-3H3/t18-,23+,24-/m1/s1
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42n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]pentazocine binding to sigma-1 sites in guinea pig brain membranes


J Med Chem 41: 1574-80 (1998)


Article DOI: 10.1021/jm970333f
BindingDB Entry DOI: 10.7270/Q2C24X3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50408540
PNG
(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)
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45n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50063807
PNG
(3-(2-Piperidin-1-yl-ethyl)-6-propionyl-3H-benzothi...)
Show SMILES CCC(=O)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1
Show InChI InChI=1S/C17H22N2O2S/c1-2-15(20)13-6-7-14-16(12-13)22-17(21)19(14)11-10-18-8-4-3-5-9-18/h6-7,12H,2-5,8-11H2,1H3
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47n/an/an/an/an/an/an/an/a



University of Louvain

Curated by ChEMBL


Assay Description
The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand


J Med Chem 41: 1138-45 (1998)


Article DOI: 10.1021/jm970682+
BindingDB Entry DOI: 10.7270/Q29S1Q5N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50408539
PNG
(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)
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50n/an/an/an/an/an/an/an/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50063805
PNG
(6-Benzoyl-3-(2-pyrrolidin-1-yl-ethyl)-3H-benzothia...)
Show SMILES O=C(c1ccccc1)c1ccc2n(CCN3CCCC3)c(=O)sc2c1
Show InChI InChI=1S/C20H20N2O2S/c23-19(15-6-2-1-3-7-15)16-8-9-17-18(14-16)25-20(24)22(17)13-12-21-10-4-5-11-21/h1-3,6-9,14H,4-5,10-13H2
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54n/an/an/an/an/an/an/an/a



University of Louvain

Curated by ChEMBL


Assay Description
The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand


J Med Chem 41: 1138-45 (1998)


Article DOI: 10.1021/jm970682+
BindingDB Entry DOI: 10.7270/Q29S1Q5N
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50063801
PNG
(3,6-Dipropionyl-3H-benzothiazol-2-one | CHEMBL1455...)
Show SMILES CCC(=O)c1ccc2n(C(=O)CC)c(=O)sc2c1
Show InChI InChI=1S/C13H13NO3S/c1-3-10(15)8-5-6-9-11(7-8)18-13(17)14(9)12(16)4-2/h5-7H,3-4H2,1-2H3
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63n/an/an/an/an/an/an/an/a



University of Louvain

Curated by ChEMBL


Assay Description
The compound was tested for the affinity on sigma 1 receptor using [3H]- pentazocine as radioligand


J Med Chem 41: 1138-45 (1998)


Article DOI: 10.1021/jm970682+
BindingDB Entry DOI: 10.7270/Q29S1Q5N
More data for this
Ligand-Target Pair
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