Found 18 hits of Enzyme Inhibition Constant Data 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 |
Cholinesterase
(Homo sapiens (Human)) | BDBM50261202
(CHEMBL497755 | [7-(4-Benzofuran-2-yl-phenoxy)hepht...)Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1 Show InChI InChI=1S/C29H33NO2/c1-30(23-24-12-6-5-7-13-24)20-10-3-2-4-11-21-31-27-18-16-25(17-19-27)29-22-26-14-8-9-15-28(26)32-29/h5-9,12-19,22H,2-4,10-11,20-21,23H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human serum BuchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM10620
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1 | PDB MMDB
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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human serum BuchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50261235
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(C)cc1)Cc1ccccc1 Show InChI InChI=1S/C37H39NO3/c1-28-17-19-30(20-18-28)36(39)35-33-15-9-10-16-34(33)41-37(35)31-21-23-32(24-22-31)40-26-12-5-3-4-11-25-38(2)27-29-13-7-6-8-14-29/h6-10,13-24H,3-5,11-12,25-27H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human serum BuchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50261232
(1-(2-{4-[7-(Benzylmethylamino)heptyloxy]phenyl}ben...)Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(C)=O)Cc1ccccc1 Show InChI InChI=1S/C31H35NO3/c1-24(33)30-28-15-9-10-16-29(28)35-31(30)26-17-19-27(20-18-26)34-22-12-5-3-4-11-21-32(2)23-25-13-7-6-8-14-25/h6-10,13-20H,3-5,11-12,21-23H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human serum BuchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10620
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1 | 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 | 3.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50261235
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(C)cc1)Cc1ccccc1 Show InChI InChI=1S/C37H39NO3/c1-28-17-19-30(20-18-28)36(39)35-33-15-9-10-16-34(33)41-37(35)31-21-23-32(24-22-31)40-26-12-5-3-4-11-25-38(2)27-29-13-7-6-8-14-29/h6-10,13-24H,3-5,11-12,25-27H2,1-2H3 | 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 | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50261232
(1-(2-{4-[7-(Benzylmethylamino)heptyloxy]phenyl}ben...)Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(C)=O)Cc1ccccc1 Show InChI InChI=1S/C31H35NO3/c1-24(33)30-28-15-9-10-16-29(28)35-31(30)26-17-19-27(20-18-26)34-22-12-5-3-4-11-21-32(2)23-25-13-7-6-8-14-25/h6-10,13-20H,3-5,11-12,21-23H2,1-2H3 | 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 | 1.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50261236
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES COc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C37H39NO4/c1-38(27-28-14-7-6-8-15-28)24-11-4-3-5-12-25-41-31-22-20-29(21-23-31)37-35(33-18-9-10-19-34(33)42-37)36(39)30-16-13-17-32(26-30)40-2/h6-10,13-23,26H,3-5,11-12,24-25,27H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human serum BuchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50261202
(CHEMBL497755 | [7-(4-Benzofuran-2-yl-phenoxy)hepht...)Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1cc2ccccc2o1)Cc1ccccc1 Show InChI InChI=1S/C29H33NO2/c1-30(23-24-12-6-5-7-13-24)20-10-3-2-4-11-21-31-27-18-16-25(17-19-27)29-22-26-14-8-9-15-28(26)32-29/h5-9,12-19,22H,2-4,10-11,20-21,23H2,1H3 | 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 | 3.26E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50261233
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C36H37NO3/c1-37(27-28-15-7-5-8-16-28)25-13-3-2-4-14-26-39-31-23-21-30(22-24-31)36-34(32-19-11-12-20-33(32)40-36)35(38)29-17-9-6-10-18-29/h5-12,15-24H,2-4,13-14,25-27H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human serum BuchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50261233
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C36H37NO3/c1-37(27-28-15-7-5-8-16-28)25-13-3-2-4-14-26-39-31-23-21-30(22-24-31)36-34(32-19-11-12-20-33(32)40-36)35(38)29-17-9-6-10-18-29/h5-12,15-24H,2-4,13-14,25-27H2,1H3 | 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 | 4.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50261234
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc(C)c1)Cc1ccccc1 Show InChI InChI=1S/C37H39NO3/c1-28-14-13-17-31(26-28)36(39)35-33-18-9-10-19-34(33)41-37(35)30-20-22-32(23-21-30)40-25-12-5-3-4-11-24-38(2)27-29-15-7-6-8-16-29/h6-10,13-23,26H,3-5,11-12,24-25,27H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human serum BuchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50261238
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES COc1ccc(cc1OC)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C38H41NO5/c1-39(27-28-14-8-7-9-15-28)24-12-5-4-6-13-25-43-31-21-18-29(19-22-31)38-36(32-16-10-11-17-33(32)44-38)37(40)30-20-23-34(41-2)35(26-30)42-3/h7-11,14-23,26H,4-6,12-13,24-25,27H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human serum BuchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50261237
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES COc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C37H39NO4/c1-38(27-28-13-7-6-8-14-28)25-11-4-3-5-12-26-41-32-23-19-30(20-24-32)37-35(33-15-9-10-16-34(33)42-37)36(39)29-17-21-31(40-2)22-18-29/h6-10,13-24H,3-5,11-12,25-27H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human serum BuchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50261234
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES CN(CCCCCCCOc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1cccc(C)c1)Cc1ccccc1 Show InChI InChI=1S/C37H39NO3/c1-28-14-13-17-31(26-28)36(39)35-33-18-9-10-19-34(33)41-37(35)30-20-22-32(23-21-30)40-25-12-5-3-4-11-24-38(2)27-29-15-7-6-8-16-29/h6-10,13-23,26H,3-5,11-12,24-25,27H2,1-2H3 | 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 | 1.27E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50261236
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES COc1cccc(c1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C37H39NO4/c1-38(27-28-14-7-6-8-15-28)24-11-4-3-5-12-25-41-31-22-20-29(21-23-31)37-35(33-18-9-10-19-34(33)42-37)36(39)30-16-13-17-32(26-30)40-2/h6-10,13-23,26H,3-5,11-12,24-25,27H2,1-2H3 | 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 | 1.27E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50261238
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES COc1ccc(cc1OC)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C38H41NO5/c1-39(27-28-14-8-7-9-15-28)24-12-5-4-6-13-25-43-31-21-18-29(19-22-31)38-36(32-16-10-11-17-33(32)44-38)37(40)30-20-23-34(41-2)35(26-30)42-3/h7-11,14-23,26H,4-6,12-13,24-25,27H2,1-3H3 | 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 | 1.77E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50261237
((2-{4-[7-(benzylmethylamino)heptyloxy]phenyl}benzo...)Show SMILES COc1ccc(cc1)C(=O)c1c(oc2ccccc12)-c1ccc(OCCCCCCCN(C)Cc2ccccc2)cc1 Show InChI InChI=1S/C37H39NO4/c1-38(27-28-13-7-6-8-14-28)25-11-4-3-5-12-26-41-32-23-19-30(20-24-32)37-35(33-15-9-10-16-34(33)42-37)36(39)29-17-21-31(40-2)22-18-29/h6-10,13-24H,3-5,11-12,25-27H2,1-2H3 | 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 | 2.81E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AchE after 20 mins by Ellman's method |
J Med Chem 51: 2883-6 (2008)
Article DOI: 10.1021/jm8002747 BindingDB Entry DOI: 10.7270/Q2Q52PFQ |
More data for this Ligand-Target Pair | |