Found 39 hits Enz. Inhib. hit(s) with all data for entry = 4757 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 M3
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | PDB
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| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | Reactome pathway
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | Reactome pathway
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM81961
(CAS_124393-85-7 | SHX | silahexocyclium)Show SMILES C[N+]1([SiH3])CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 Show InChI InChI=1S/C19H33N2OSi/c1-21(23)14-12-20(13-15-21)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,18,22H,3,6-7,10-16H2,1,23H3/q+1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM81959
(CAS_115-63-9 | Hexocyclium)Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM86231
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3 | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM81961
(CAS_124393-85-7 | SHX | silahexocyclium)Show SMILES C[N+]1([SiH3])CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 Show InChI InChI=1S/C19H33N2OSi/c1-21(23)14-12-20(13-15-21)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,18,22H,3,6-7,10-16H2,1,23H3/q+1 | Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM81961
(CAS_124393-85-7 | SHX | silahexocyclium)Show SMILES C[N+]1([SiH3])CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 Show InChI InChI=1S/C19H33N2OSi/c1-21(23)14-12-20(13-15-21)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,18,22H,3,6-7,10-16H2,1,23H3/q+1 | Reactome pathway
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| PC cid
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM81959
(CAS_115-63-9 | Hexocyclium)Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM81959
(CAS_115-63-9 | Hexocyclium)Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1 | Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM81961
(CAS_124393-85-7 | SHX | silahexocyclium)Show SMILES C[N+]1([SiH3])CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 Show InChI InChI=1S/C19H33N2OSi/c1-21(23)14-12-20(13-15-21)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,18,22H,3,6-7,10-16H2,1,23H3/q+1 | PDB
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| PC cid
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | 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 | PDB
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM81959
(CAS_115-63-9 | Hexocyclium)Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1 | Reactome pathway
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM50010101
(2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarbo...)Show InChI InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3 | PDB
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM81959
(CAS_115-63-9 | Hexocyclium)Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1 | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM81799
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM81960
(CAS_113010-69-8 | HHD | hexahydrodifenidol)Show InChI InChI=1S/C21H33NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-10,13-18H2 | Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | BDBM81799
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2 | PDB
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| 12.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
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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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | 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) | Reactome pathway
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM81960
(CAS_113010-69-8 | HHD | hexahydrodifenidol)Show InChI InChI=1S/C21H33NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-10,13-18H2 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM81959
(CAS_115-63-9 | Hexocyclium)Show InChI InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM81961
(CAS_124393-85-7 | SHX | silahexocyclium)Show SMILES C[N+]1([SiH3])CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1 Show InChI InChI=1S/C19H33N2OSi/c1-21(23)14-12-20(13-15-21)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2,4-5,8-9,18,22H,3,6-7,10-16H2,1,23H3/q+1 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM81799
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2 | Reactome pathway
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | 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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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM81799
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2 | Reactome pathway
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM81960
(CAS_113010-69-8 | HHD | hexahydrodifenidol)Show InChI InChI=1S/C21H33NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-10,13-18H2 | Reactome pathway
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| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(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 | PDB
Reactome pathway
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| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(RAT) | 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) | PDB
Reactome pathway
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| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | 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 | PDB
Reactome pathway
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| 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(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) | PDB
Reactome pathway
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| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50018056
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31) | PDB
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| 186 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM81960
(CAS_113010-69-8 | HHD | hexahydrodifenidol)Show InChI InChI=1S/C21H33NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-10,13-18H2 | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50010101
(2-(diethylamino)ethyl 1-cyclohexylcyclohexanecarbo...)Show InChI InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3 | PDB
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| 244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM81799
(CAS_98299-40-2 | HHSiD | NSC_3602 | hexahydrosilad...)Show InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2 | PDB
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| 249 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50018056
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31) | PDB
Reactome pathway
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| 838 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(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) | PDB
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| 906 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(RAT) | BDBM50018056
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31) | Reactome pathway
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50018056
((AF-DX 116) 11-[2-(2-Diethylaminomethyl-piperidin-...)Show SMILES CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12 Show InChI InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31) | Reactome pathway
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| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Mental Health
Curated by PDSP Ki Database
| |
Mol Pharmacol 35: 469-76 (1989)
BindingDB Entry DOI: 10.7270/Q2V69H2Z |
More data for this
Ligand-Target Pair | |
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