Found 55 hits with Last Name = 'martin' and Initial = 'rj' 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 M4
(RAT) | BDBM50015720
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3 | PDB
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| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(PORCINE) | BDBM50015720
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3 | PDB
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(bovine) | BDBM50015720
((hyoscine)3-Hydroxy-2-phenyl-propionic acid 9-meth...)Show SMILES CN1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:8:9:1:3.5.4,8:7:1:3.5.4,0:1:9.7:3.5.4,THB:10:4:9.7:1| Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3 | PDB
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| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(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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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
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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| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(PORCINE) | 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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| 0.970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(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
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| 1.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(bovine) | 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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| 1.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
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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| 1.69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(PORCINE) | 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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| 2.04 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(bovine) | 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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| 2.39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(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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| 4.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(bovine) | BDBM82376
(CAS_80880-90-6 | NSC_5387 | TELENZEPINE)Show SMILES CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc3ccccc23)CC1 Show InChI InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25) | PDB
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| 5.88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM50071173
((3R,4R,4aS,8aR)-4-[(E)-2-((2S,6S)-1,6-Dimethyl-pip...)Show SMILES C[C@H]1OC(=O)C2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)C12 Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16+,17-,18-,19+,20?,21?/m0/s1 | PDB
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| 6.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(PORCINE) | BDBM50071173
((3R,4R,4aS,8aR)-4-[(E)-2-((2S,6S)-1,6-Dimethyl-pip...)Show SMILES C[C@H]1OC(=O)C2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)C12 Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16+,17-,18-,19+,20?,21?/m0/s1 | PDB
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| 10.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(bovine) | BDBM50071173
((3R,4R,4aS,8aR)-4-[(E)-2-((2S,6S)-1,6-Dimethyl-pip...)Show SMILES C[C@H]1OC(=O)C2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)C12 Show InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15+,16+,17-,18-,19+,20?,21?/m0/s1 | PDB
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| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(PORCINE) | BDBM82376
(CAS_80880-90-6 | NSC_5387 | TELENZEPINE)Show SMILES CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc3ccccc23)CC1 Show InChI InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25) | PDB
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| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(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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| 16.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(bovine) | 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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| 32.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(PORCINE) | 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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| 32.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(PORCINE) | 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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Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(PORCINE) | BDBM82371
(CAS_1508-75-4 | NSC_5593 | TROPICAMIDE)Show InChI InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 | PDB
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Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(bovine) | 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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Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(bovine) | 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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Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(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
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Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM85381
(CAS_116679-83-5 | p-FHSD | p-fluoro-hexahydro-sila...)Show InChI InChI=1S/C20H32FNOSi/c21-18-10-12-20(13-11-18)24(23,19-8-3-1-4-9-19)17-7-16-22-14-5-2-6-15-22/h10-13,19,23H,1-9,14-17H2 | PDB
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Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(PORCINE) | 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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| 55.0 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(bovine) | BDBM82371
(CAS_1508-75-4 | NSC_5593 | TROPICAMIDE)Show InChI InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 | PDB
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Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(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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| 66.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM82376
(CAS_80880-90-6 | NSC_5387 | TELENZEPINE)Show SMILES CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc3ccccc23)CC1 Show InChI InChI=1S/C19H22N4O2S/c1-13-18-14(12-26-13)19(25)20-15-5-3-4-6-16(15)23(18)17(24)11-22-9-7-21(2)8-10-22/h3-6,12H,7-11H2,1-2H3,(H,20,25) | PDB
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| 67.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(PORCINE) | BDBM85381
(CAS_116679-83-5 | p-FHSD | p-fluoro-hexahydro-sila...)Show InChI InChI=1S/C20H32FNOSi/c21-18-10-12-20(13-11-18)24(23,19-8-3-1-4-9-19)17-7-16-22-14-5-2-6-15-22/h10-13,19,23H,1-9,14-17H2 | PDB
Reactome pathway
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| 69.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(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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| 72.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(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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| 77.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM82371
(CAS_1508-75-4 | NSC_5593 | TROPICAMIDE)Show InChI InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 | PDB
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Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(bovine) | BDBM85381
(CAS_116679-83-5 | p-FHSD | p-fluoro-hexahydro-sila...)Show InChI InChI=1S/C20H32FNOSi/c21-18-10-12-20(13-11-18)24(23,19-8-3-1-4-9-19)17-7-16-22-14-5-2-6-15-22/h10-13,19,23H,1-9,14-17H2 | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(RAT) | BDBM85380
(3-O-Methyldopamine hydrochloride | CAS_1477-68-5 |...)Show InChI InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 | PDB
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Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(bovine) | BDBM85380
(3-O-Methyldopamine hydrochloride | CAS_1477-68-5 |...)Show InChI InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 | PDB
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Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor
(PORCINE) | BDBM85380
(3-O-Methyldopamine hydrochloride | CAS_1477-68-5 |...)Show InChI InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Pharmacol Toxicol 83: 200-7 (1998)
Article DOI: 10.1111/j.1600-0773.1998.tb01469.x
BindingDB Entry DOI: 10.7270/Q21N7ZPP |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM10759
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 | UniProtKB/SwissProt
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| US Patent
| n/a | n/a | n/a | n/a | 6.36E+3 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM444837
(US10667515, Compound (S)-1'-methyl-nicotinium)Show InChI InChI=1S/C11H17N2/c1-13(2)8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1/t11-/m0/s1 | UniProtKB/SwissProt
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| US Patent
| n/a | n/a | n/a | n/a | 1.03E+4 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM444838
(US10667515, Compound (S)-nicotine-5-carboxaldehyde)Show InChI InChI=1S/C12H16N2O/c1-9(15)10-6-11(8-13-7-10)12-4-3-5-14(12)2/h6-8,12H,3-5H2,1-2H3/t12-/m0/s1 | UniProtKB/SwissProt
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| US Patent
| n/a | n/a | n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM50100716
(5-(1-Methyl-pyrrolidin-2-yl)-pyridin-2-ylamine | C...)Show InChI InChI=1S/C10H15N3/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3,(H2,11,12) | UniProtKB/SwissProt
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| US Patent
| n/a | n/a | n/a | n/a | 1.22E+4 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM50451805
(CHEMBL163042 | US10667515, Compound homonicotine)Show InChI InChI=1S/C11H16N2/c1-2-13-8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3 | UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | n/a | n/a | 1.66E+4 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM50023328
(3-Pyrrolidin-2-yl-pyridine | CHEMBL1132 | Nornicot...)Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2 | UniProtKB/SwissProt
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KEGG
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| n/a | n/a | n/a | n/a | 2.57E+4 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM50079457
(1-Methyl-1,2,3,4,5,6-hexahydro-[2,3']bipyridinyl |...)Show InChI InChI=1S/C11H16N2/c1-13-8-3-2-6-11(13)10-5-4-7-12-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3 | UniProtKB/SwissProt
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CHEMBL
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UniChem
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| US Patent
| n/a | n/a | n/a | n/a | <1.00E+5 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM444843
(US10667515, Compound (S)-1-methyl-nicotinium)Show InChI InChI=1S/C11H17N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h3,5,7,9,11H,4,6,8H2,1-2H3/q+1/t11-/m0/s1 | UniProtKB/SwissProt
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UniChem
| US Patent
| n/a | n/a | n/a | n/a | <1.00E+5 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM50370573
(COTININE | US10667515, Compound (S)-cotinine | US8...)Show InChI InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1 | UniProtKB/SwissProt
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MCE
PC cid
PC sid
PDB
UniChem
Similars
| US Patent
| n/a | n/a | n/a | n/a | <1.00E+5 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM444829
(US10667515, Compound (S)-5-bromo-anabasine)Show InChI InChI=1S/C10H13BrN2/c11-9-5-8(6-12-7-9)10-3-1-2-4-13-10/h5-7,10,13H,1-4H2/t10-/m0/s1 | UniProtKB/SwissProt
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MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 320 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | UniProtKB/SwissProt
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KEGG
PC cid
PC sid
PDB
UniChem
Similars
| US Patent
| n/a | n/a | n/a | n/a | 6.21E+3 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
Resistance to inhibitors of cholinesterase protein 3
(Pig roundworm) | BDBM444834
(US10667515, Compound 6-methyl-nicotine)Show InChI InChI=1S/C11H16N2/c1-9-5-6-10(8-12-9)11-4-3-7-13(11)2/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m0/s1 | UniProtKB/SwissProt
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PC sid
UniChem
| US Patent
| n/a | n/a | n/a | n/a | 6.13E+3 | n/a | n/a | n/a | n/a |
Iowa State University Research Foundation, Inc.
US Patent
| Assay Description
Nematode eggs are isolated from fresh feces by centrifugation and flotation. The eggs are washed and inspected to confirm embryonation has not starte... |
US Patent US10667515 (2020)
BindingDB Entry DOI: 10.7270/Q23N26DQ |
More data for this
Ligand-Target Pair | |
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