Found 16 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 |
|---|
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50342603
(2,5-bis(6-(4-hydroxy-3-methoxybenzylamino)hexylami...)Show SMILES COc1cc(CNCCCCCCNc2cc(O)c(cc2O)N=CCCCCCNCc2ccc(O)c(OC)c2)ccc1O |w:22.22| Show InChI InChI=1S/C34H48N4O6/c1-43-33-19-25(11-13-29(33)39)23-35-15-7-3-5-9-17-37-27-21-32(42)28(22-31(27)41)38-18-10-6-4-8-16-36-24-26-12-14-30(40)34(20-26)44-2/h11-14,17,19-22,35-36,38-42H,3-10,15-16,18,23-24H2,1-2H3 | 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 | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum AChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50342602
(2,5-bis(3-(4-hydroxy-3-methoxybenzylamino)propylam...)Show SMILES COc1cc(CNCCCNc2cc(O)c(cc2O)N=CCCNCc2ccc(O)c(OC)c2)ccc1O |w:19.19| Show InChI InChI=1S/C28H36N4O6/c1-37-27-13-19(5-7-23(27)33)17-29-9-3-11-31-21-15-26(36)22(16-25(21)35)32-12-4-10-30-18-20-6-8-24(34)28(14-20)38-2/h5-8,11,13-16,29-30,32-36H,3-4,9-10,12,17-18H2,1-2H3 | 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 | 198 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum AChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50342609
(2,5-bis(6-(4-(benzo[d]thiazol-2-yl)benzylamino)hex...)Show SMILES Oc1cc(N=CCCCCCNCc2ccc(cc2)-c2nc3ccccc3s2)c(O)cc1NCCCCCCNCc1ccc(cc1)-c1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C46H50N6O2S2/c53-41-30-40(50-28-12-4-2-10-26-48-32-34-19-23-36(24-20-34)46-52-38-14-6-8-16-44(38)56-46)42(54)29-39(41)49-27-11-3-1-9-25-47-31-33-17-21-35(22-18-33)45-51-37-13-5-7-15-43(37)55-45/h5-8,13-24,27,29-30,47-48,50,53-54H,1-4,9-12,25-26,28,31-32H2 | 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 | 305 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum AChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50342603
(2,5-bis(6-(4-hydroxy-3-methoxybenzylamino)hexylami...)Show SMILES COc1cc(CNCCCCCCNc2cc(O)c(cc2O)N=CCCCCCNCc2ccc(O)c(OC)c2)ccc1O |w:22.22| Show InChI InChI=1S/C34H48N4O6/c1-43-33-19-25(11-13-29(33)39)23-35-15-7-3-5-9-17-37-27-21-32(42)28(22-31(27)41)38-18-10-6-4-8-16-36-24-26-12-14-30(40)34(20-26)44-2/h11-14,17,19-22,35-36,38-42H,3-10,15-16,18,23-24H2,1-2H3 | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum BuChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50342604
(2,5-bis(3-(benzofuran-2-ylmethylamino)propylamino)...)Show SMILES Oc1cc(N=CCCNCc2cc3ccccc3o2)c(O)cc1NCCCNCc1cc2ccccc2o1 |w:4.3| Show InChI InChI=1S/C30H32N4O4/c35-27-18-26(34-14-6-12-32-20-24-16-22-8-2-4-10-30(22)38-24)28(36)17-25(27)33-13-5-11-31-19-23-15-21-7-1-3-9-29(21)37-23/h1-4,7-10,13,15-18,31-32,34-36H,5-6,11-12,14,19-20H2 | 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 | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum BuChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50342602
(2,5-bis(3-(4-hydroxy-3-methoxybenzylamino)propylam...)Show SMILES COc1cc(CNCCCNc2cc(O)c(cc2O)N=CCCNCc2ccc(O)c(OC)c2)ccc1O |w:19.19| Show InChI InChI=1S/C28H36N4O6/c1-37-27-13-19(5-7-23(27)33)17-29-9-3-11-31-21-15-26(36)22(16-25(21)35)32-12-4-10-30-18-20-6-8-24(34)28(14-20)38-2/h5-8,11,13-16,29-30,32-36H,3-4,9-10,12,17-18H2,1-2H3 | 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 | 8.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum BuChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50342605
(2,5-bis(6-(benzofuran-2-ylmethylamino)hexylamino)c...)Show SMILES Oc1cc(N=CCCCCCNCc2cc3ccccc3o2)c(O)cc1NCCCCCCNCc1cc2ccccc2o1 |w:4.3| Show InChI InChI=1S/C36H44N4O4/c41-33-24-32(40-20-12-4-2-10-18-38-26-30-22-28-14-6-8-16-36(28)44-30)34(42)23-31(33)39-19-11-3-1-9-17-37-25-29-21-27-13-5-7-15-35(27)43-29/h5-8,13-16,19,21-24,37-38,40-42H,1-4,9-12,17-18,20,25-26H2 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum AChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50342607
(2,5-bis(6-(benzo[d]thiazol-2-ylmethylamino)hexylam...)Show SMILES Oc1cc(N=CCCCCCNCc2nc3ccccc3s2)c(O)cc1NCCCCCCNCc1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C34H42N6O2S2/c41-29-22-28(38-20-12-4-2-10-18-36-24-34-40-26-14-6-8-16-32(26)44-34)30(42)21-27(29)37-19-11-3-1-9-17-35-23-33-39-25-13-5-7-15-31(25)43-33/h5-8,13-16,19,21-22,35-36,38,41-42H,1-4,9-12,17-18,20,23-24H2 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum BuChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50342606
(2,5-bis(3-(benzo[d]thiazol-2-ylmethylamino)propyla...)Show SMILES Oc1cc(N=CCCNCc2nc3ccccc3s2)c(O)cc1NCCCNCc1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C28H30N6O2S2/c35-23-16-22(32-14-6-12-30-18-28-34-20-8-2-4-10-26(20)38-28)24(36)15-21(23)31-13-5-11-29-17-27-33-19-7-1-3-9-25(19)37-27/h1-4,7-10,13,15-16,29-30,32,35-36H,5-6,11-12,14,17-18H2 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum AChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50342606
(2,5-bis(3-(benzo[d]thiazol-2-ylmethylamino)propyla...)Show SMILES Oc1cc(N=CCCNCc2nc3ccccc3s2)c(O)cc1NCCCNCc1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C28H30N6O2S2/c35-23-16-22(32-14-6-12-30-18-28-34-20-8-2-4-10-26(20)38-28)24(36)15-21(23)31-13-5-11-29-17-27-33-19-7-1-3-9-25(19)37-27/h1-4,7-10,13,15-16,29-30,32,35-36H,5-6,11-12,14,17-18H2 | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum BuChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50342604
(2,5-bis(3-(benzofuran-2-ylmethylamino)propylamino)...)Show SMILES Oc1cc(N=CCCNCc2cc3ccccc3o2)c(O)cc1NCCCNCc1cc2ccccc2o1 |w:4.3| Show InChI InChI=1S/C30H32N4O4/c35-27-18-26(34-14-6-12-32-20-24-16-22-8-2-4-10-30(22)38-24)28(36)17-25(27)33-13-5-11-31-19-23-15-21-7-1-3-9-29(21)37-23/h1-4,7-10,13,15-18,31-32,34-36H,5-6,11-12,14,19-20H2 | 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 | 2.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum AChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50342607
(2,5-bis(6-(benzo[d]thiazol-2-ylmethylamino)hexylam...)Show SMILES Oc1cc(N=CCCCCCNCc2nc3ccccc3s2)c(O)cc1NCCCCCCNCc1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C34H42N6O2S2/c41-29-22-28(38-20-12-4-2-10-18-36-24-34-40-26-14-6-8-16-32(26)44-34)30(42)21-27(29)37-19-11-3-1-9-17-35-23-33-39-25-13-5-7-15-31(25)43-33/h5-8,13-16,19,21-22,35-36,38,41-42H,1-4,9-12,17-18,20,23-24H2 | 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 | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum AChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50342609
(2,5-bis(6-(4-(benzo[d]thiazol-2-yl)benzylamino)hex...)Show SMILES Oc1cc(N=CCCCCCNCc2ccc(cc2)-c2nc3ccccc3s2)c(O)cc1NCCCCCCNCc1ccc(cc1)-c1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C46H50N6O2S2/c53-41-30-40(50-28-12-4-2-10-26-48-32-34-19-23-36(24-20-34)46-52-38-14-6-8-16-44(38)56-46)42(54)29-39(41)49-27-11-3-1-9-25-47-31-33-17-21-35(22-18-33)45-51-37-13-5-7-15-43(37)55-45/h5-8,13-24,27,29-30,47-48,50,53-54H,1-4,9-12,25-26,28,31-32H2 | 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 | 2.73E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum BuChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50342608
(2,5-bis(3-(4-(benzo[d]thiazol-2-yl)benzylamino)pro...)Show SMILES Oc1cc(N=CCCNCc2ccc(cc2)-c2nc3ccccc3s2)c(O)cc1NCCCNCc1ccc(cc1)-c1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C40H38N6O2S2/c47-35-24-34(44-22-6-20-42-26-28-13-17-30(18-14-28)40-46-32-8-2-4-10-38(32)50-40)36(48)23-33(35)43-21-5-19-41-25-27-11-15-29(16-12-27)39-45-31-7-1-3-9-37(31)49-39/h1-4,7-18,21,23-24,41-42,44,47-48H,5-6,19-20,22,25-26H2 | 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 | 3.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum AChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50342608
(2,5-bis(3-(4-(benzo[d]thiazol-2-yl)benzylamino)pro...)Show SMILES Oc1cc(N=CCCNCc2ccc(cc2)-c2nc3ccccc3s2)c(O)cc1NCCCNCc1ccc(cc1)-c1nc2ccccc2s1 |w:4.3| Show InChI InChI=1S/C40H38N6O2S2/c47-35-24-34(44-22-6-20-42-26-28-13-17-30(18-14-28)40-46-32-8-2-4-10-38(32)50-40)36(48)23-33(35)43-21-5-19-41-25-27-11-15-29(16-12-27)39-45-31-7-1-3-9-37(31)49-39/h1-4,7-18,21,23-24,41-42,44,47-48H,5-6,19-20,22,25-26H2 | 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 | 3.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum BuChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50342605
(2,5-bis(6-(benzofuran-2-ylmethylamino)hexylamino)c...)Show SMILES Oc1cc(N=CCCCCCNCc2cc3ccccc3o2)c(O)cc1NCCCCCCNCc1cc2ccccc2o1 |w:4.3| Show InChI InChI=1S/C36H44N4O4/c41-33-24-32(40-20-12-4-2-10-18-38-26-30-22-28-14-6-8-16-36(28)44-30)34(42)23-31(33)39-19-11-3-1-9-17-37-25-29-21-27-13-5-7-15-35(27)43-29/h5-8,13-16,19,21-24,37-38,40-42H,1-4,9-12,17-18,20,25-26H2 | 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 | 8.42E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University
Curated by ChEMBL
| Assay Description
Inhibition of human serum BuChE |
Bioorg Med Chem Lett 21: 2655-8 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.093
BindingDB Entry DOI: 10.7270/Q2445MSW |
More data for this
Ligand-Target Pair | |
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