Found 288 hits with Last Name = 'komloova' and Initial = 'm' 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 |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50336116
(Ambenonium dichloride | CHEMBL1669479)Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50336116
(Ambenonium dichloride | CHEMBL1669479)Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 23: 6663-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50262988
(CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...)Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50336116
(Ambenonium dichloride | CHEMBL1669479)Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 23: 6663-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50262988
(CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...)Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50336116
(Ambenonium dichloride | CHEMBL1669479)Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10624
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot |
Bioorg Med Chem Lett 21: 150-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10624
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10624
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50005114
(CHEMBL3093804)Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1 Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 23: 6663-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50005114
(CHEMBL3093804)Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1 Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 23: 6663-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50119798
(1,11-bis(pyridinium)-undecane dibromide | 1,11-di(...)Show InChI InChI=1S/C21H32N2/c1(2-4-6-10-16-22-18-12-8-13-19-22)3-5-7-11-17-23-20-14-9-15-21-23/h8-9,12-15,18-21H,1-7,10-11,16-17H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Military Health Sciences
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE after 5 mins by noncompetitive Lineweaver-burk plot analysis for enzyme-inhibitor complex |
Bioorg Med Chem Lett 20: 1763-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.034 BindingDB Entry DOI: 10.7270/Q2BK1CGS |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50119798
(1,11-bis(pyridinium)-undecane dibromide | 1,11-di(...)Show InChI InChI=1S/C21H32N2/c1(2-4-6-10-16-22-18-12-8-13-19-22)3-5-7-11-17-23-20-14-9-15-21-23/h8-9,12-15,18-21H,1-7,10-11,16-17H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Military Health Sciences
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE after 5 mins by noncompetitive Lineweaver-burk plot analysis |
Bioorg Med Chem Lett 20: 1763-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.034 BindingDB Entry DOI: 10.7270/Q2BK1CGS |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50119797
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10624
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10624
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10624
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 23: 6663-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(Homo sapiens (Human)) | BDBM10624
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot |
Bioorg Med Chem Lett 21: 150-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50119797
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50334300
(1,8-bis(4-tert.butylpyridinium)-oct-1,8-diyl dibro...)Show SMILES CC(C)(C)c1cc[n+](CCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C26H42N2/c1-25(2,3)23-13-19-27(20-14-23)17-11-9-7-8-10-12-18-28-21-15-24(16-22-28)26(4,5)6/h13-16,19-22H,7-12,17-18H2,1-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot |
Bioorg Med Chem Lett 21: 150-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6 |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50334303
(1,1'-bis(4-tert.butylpyridinium)-naphtyl-3,6-dimet...)Show SMILES CC(C)(C)c1cc[n+](\C=C2\CC3=C\C(CC=C3C=C2)=C\[n+]2ccc(cc2)C(C)(C)C)cc1 |c:15,18,t:11| Show InChI InChI=1S/C30H36N2/c1-29(2,3)27-11-15-31(16-12-27)21-23-7-9-25-10-8-24(20-26(25)19-23)22-32-17-13-28(14-18-32)30(4,5)6/h7,9-18,20-22H,8,19H2,1-6H3/q+2/b23-21+,24-22+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot |
Bioorg Med Chem Lett 21: 150-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50334303
(1,1'-bis(4-tert.butylpyridinium)-naphtyl-3,6-dimet...)Show SMILES CC(C)(C)c1cc[n+](\C=C2\CC3=C\C(CC=C3C=C2)=C\[n+]2ccc(cc2)C(C)(C)C)cc1 |c:15,18,t:11| Show InChI InChI=1S/C30H36N2/c1-29(2,3)27-11-15-31(16-12-27)21-23-7-9-25-10-8-24(20-26(25)19-23)22-32-17-13-28(14-18-32)30(4,5)6/h7,9-18,20-22H,8,19H2,1-6H3/q+2/b23-21+,24-22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot |
Bioorg Med Chem Lett 21: 150-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50313093
(1,1'-bis(pyridinium)-naphtyl-3,6-dimethylene dibro...)Show InChI InChI=1S/C22H20N2/c1-3-11-23(12-4-1)17-19-7-9-21-10-8-20(16-22(21)15-19)18-24-13-5-2-6-14-24/h1-16H,17-18H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Military Health Sciences
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE after 5 mins by noncompetitive Lineweaver-burk plot analysis for enzyme-inhibitor complex |
Bioorg Med Chem Lett 20: 1763-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.034 BindingDB Entry DOI: 10.7270/Q2BK1CGS |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50313093
(1,1'-bis(pyridinium)-naphtyl-3,6-dimethylene dibro...)Show InChI InChI=1S/C22H20N2/c1-3-11-23(12-4-1)17-19-7-9-21-10-8-20(16-22(21)15-19)18-24-13-5-2-6-14-24/h1-16H,17-18H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Military Health Sciences
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte AChE after 5 mins by noncompetitive Lineweaver-burk plot analysis |
Bioorg Med Chem Lett 20: 1763-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.034 BindingDB Entry DOI: 10.7270/Q2BK1CGS |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50334300
(1,8-bis(4-tert.butylpyridinium)-oct-1,8-diyl dibro...)Show SMILES CC(C)(C)c1cc[n+](CCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C26H42N2/c1-25(2,3)23-13-19-27(20-14-23)17-11-9-7-8-10-12-18-28-21-15-24(16-22-28)26(4,5)6/h13-16,19-22H,7-12,17-18H2,1-6H3/q+2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot |
Bioorg Med Chem Lett 21: 150-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50005115
(CHEMBL3093802)Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Non competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 23: 6663-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50005115
(CHEMBL3093802)Show SMILES [Br-].[Br-].C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1ccccc1 Show InChI InChI=1S/C24H32N2.2BrH/c1(3-5-10-18-25-19-11-7-12-20-25)2-4-6-13-21-26-22-14-16-23-15-8-9-17-24(23)26;;/h7-9,11-12,14-17,19-20,22H,1-6,10,13,18,21H2;2*1H/q+2;;/p-2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 23: 6663-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50119786
(1,8-di(2-isoquinoliniumyl)octane; with diiodide io...)Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50336130
(1,10-Bis(isoquinolinium)-naphtyl-3,6-dimethylenyld...)Show SMILES C(c1ccc2ccc(C[n+]3ccc4ccccc4c3)cc2c1)[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C30H24N2/c1-3-7-28-21-31(15-13-25(28)5-1)19-23-9-11-27-12-10-24(18-30(27)17-23)20-32-16-14-26-6-2-4-8-29(26)22-32/h1-18,21-22H,19-20H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM120262
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM120262
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10624
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 23: 6663-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50119786
(1,8-di(2-isoquinoliniumyl)octane; with diiodide io...)Show SMILES C(CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C26H30N2/c1(3-9-17-27-19-15-23-11-5-7-13-25(23)21-27)2-4-10-18-28-20-16-24-12-6-8-14-26(24)22-28/h5-8,11-16,19-22H,1-4,9-10,17-18H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 980 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50336130
(1,10-Bis(isoquinolinium)-naphtyl-3,6-dimethylenyld...)Show SMILES C(c1ccc2ccc(C[n+]3ccc4ccccc4c3)cc2c1)[n+]1ccc2ccccc2c1 Show InChI InChI=1S/C30H24N2/c1-3-7-28-21-31(15-13-25(28)5-1)19-23-9-11-27-12-10-24(18-30(27)17-23)20-32-16-14-26-6-2-4-8-29(26)22-32/h1-18,21-22H,19-20H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50339942
(1,1'-(naphthalene-2,7-diylbis(methylene))diquinoli...)Show SMILES C(c1ccc2ccc(C[n+]3cccc4ccccc34)cc2c1)[n+]1cccc2ccccc12 Show InChI InChI=1S/C30H24N2/c1-3-11-29-26(7-1)9-5-17-31(29)21-23-13-15-25-16-14-24(20-28(25)19-23)22-32-18-6-10-27-8-2-4-12-30(27)32/h1-20H,21-22H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM120262
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant AChE using ATChCl as substrate by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 23: 6663-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM120262
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM120262
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Similars
| DrugBank Article PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50339942
(1,1'-(naphthalene-2,7-diylbis(methylene))diquinoli...)Show SMILES C(c1ccc2ccc(C[n+]3cccc4ccccc34)cc2c1)[n+]1cccc2ccccc12 Show InChI InChI=1S/C30H24N2/c1-3-11-29-26(7-1)9-5-17-31(29)21-23-13-15-25-16-14-24(20-28(25)19-23)22-32-18-6-10-27-8-2-4-12-30(27)32/h1-20H,21-22H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex by Lineweaver-Burk plot |
Bioorg Med Chem Lett 21: 150-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.21E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.21E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Dissociation constant for enzyme-inhibitor-substrate complex of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 1.21E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex by Lineweaver-Burk plot |
Bioorg Med Chem Lett 21: 150-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.051 BindingDB Entry DOI: 10.7270/Q2542PK6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50336116
(Ambenonium dichloride | CHEMBL1669479)Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method |
Bioorg Med Chem Lett 23: 6663-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50336116
(Ambenonium dichloride | CHEMBL1669479)Show SMILES C[N+](C)(CCNC(=O)C(=O)NCC[N+](C)(C)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C24H32Cl2N4O2/c1-29(2,17-19-9-5-7-11-21(19)25)15-13-27-23(31)24(32)28-14-16-30(3,4)18-20-10-6-8-12-22(20)26/h5-12H,13-18H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Defence
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE by Lineweaver-Burk plot analysis |
Eur J Med Chem 46: 811-8 (2011)
Article DOI: 10.1016/j.ejmech.2010.12.011 BindingDB Entry DOI: 10.7270/Q2PR7W8D |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50262988
(CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...)Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte recombinant AChE by modified Ellman's method |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50119797
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte recombinant AChE by modified Ellman's method |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50005114
(CHEMBL3093804)Show SMILES [Br-].[Br-].C(CCCCCC[n+]1cccc2ccccc12)CCCCC[n+]1ccccc1 Show InChI InChI=1S/C26H36N2.2BrH/c1(3-5-7-12-20-27-21-13-9-14-22-27)2-4-6-8-15-23-28-24-16-18-25-17-10-11-19-26(25)28;;/h9-11,13-14,16-19,21-22,24H,1-8,12,15,20,23H2;2*1H/q+2;;/p-2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman's method |
Bioorg Med Chem Lett 23: 6663-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.043 BindingDB Entry DOI: 10.7270/Q2ZG6TR6 |
More data for this Ligand-Target Pair | |