Found 25 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)) | BDBM50067482
(6-[(2-Methoxy-benzyl)-methyl-amino]-hexanoic acid ...)Show SMILES COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC Show InChI InChI=1S/C40H66N4O4/c1-41(33-35-23-15-17-25-37(35)47-5)29-19-11-13-27-39(45)43(3)31-21-9-7-8-10-22-32-44(4)40(46)28-14-12-20-30-42(2)34-36-24-16-18-26-38(36)48-6/h15-18,23-26H,7-14,19-22,27-34H2,1-6H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition constant determined against Acetylcholinesterase (AChE) receptor. |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Choline O-acetyltransferase
(RAT) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition constant determined against Acetylcholinesterase (AChE) receptor. |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
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
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition constant determined against Acetylcholinesterase (AChE) receptor. |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM11023
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| DrugBank Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM11023
((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)] |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50067482
(6-[(2-Methoxy-benzyl)-methyl-amino]-hexanoic acid ...)Show SMILES COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC Show InChI InChI=1S/C40H66N4O4/c1-41(33-35-23-15-17-25-37(35)47-5)29-19-11-13-27-39(45)43(3)31-21-9-7-8-10-22-32-44(4)40(46)28-14-12-20-30-42(2)34-36-24-16-18-26-38(36)48-6/h15-18,23-26H,7-14,19-22,27-34H2,1-6H3 | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50422269
(CHEMBL132377)Show SMILES COc1ccccc1CNCCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCNCc1ccccc1OC Show InChI InChI=1S/C38H62N4O4/c1-41(37(43)25-11-9-17-27-39-31-33-21-13-15-23-35(33)45-3)29-19-7-5-6-8-20-30-42(2)38(44)26-12-10-18-28-40-32-34-22-14-16-24-36(34)46-4/h13-16,21-24,39-40H,5-12,17-20,25-32H2,1-4H3 | 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 | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM8961
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 363 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)] |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cholinesterase
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 977 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)] |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50422272
(CHEMBL302179)Show SMILES COc1ccccc1CNCCCCCCNCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C34H58N4O2/c1-39-33-21-11-9-19-31(33)29-37-27-17-7-5-15-25-35-23-13-3-4-14-24-36-26-16-6-8-18-28-38-30-32-20-10-12-22-34(32)40-2/h9-12,19-22,35-38H,3-8,13-18,23-30H2,1-2H3 | 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 | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)] |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50422273
(CHEMBL134488)Show SMILES COc1ccccc1CNCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H58N4O4/c1-43-33-21-13-11-19-31(33)29-37-25-15-7-9-23-35(41)39-27-17-5-3-4-6-18-28-40-36(42)24-10-8-16-26-38-30-32-20-12-14-22-34(32)44-2/h11-14,19-22,37-38H,3-10,15-18,23-30H2,1-2H3,(H,39,41)(H,40,42) | 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 | 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50422270
(CHEMBL422977)Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C35H60N4O2/c1-40-34-22-12-10-20-32(34)30-38-28-18-8-6-16-26-36-24-14-4-3-5-15-25-37-27-17-7-9-19-29-39-31-33-21-11-13-23-35(33)41-2/h10-13,20-23,36-39H,3-9,14-19,24-31H2,1-2H3 | 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 | 3.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)] |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50422270
(CHEMBL422977)Show SMILES COc1ccccc1CNCCCCCCNCCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C35H60N4O2/c1-40-34-22-12-10-20-32(34)30-38-28-18-8-6-16-26-36-24-14-4-3-5-15-25-37-27-17-7-9-19-29-39-31-33-21-11-13-23-35(33)41-2/h10-13,20-23,36-39H,3-9,14-19,24-31H2,1-2H3 | 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 | 4.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50422269
(CHEMBL132377)Show SMILES COc1ccccc1CNCCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCNCc1ccccc1OC Show InChI InChI=1S/C38H62N4O4/c1-41(37(43)25-11-9-17-27-39-31-33-21-13-15-23-35(33)45-3)29-19-7-5-6-8-20-30-42(2)38(44)26-12-10-18-28-40-32-34-22-14-16-24-36(34)46-4/h13-16,21-24,39-40H,5-12,17-20,25-32H2,1-4H3 | 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 | 6.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)] |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50020168
(1N-(2-methoxybenzyl)-6N-(2-{2-[6-(2-methoxybenzyla...)Show SMILES COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)] |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50422272
(CHEMBL302179)Show SMILES COc1ccccc1CNCCCCCCNCCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C34H58N4O2/c1-39-33-21-11-9-19-31(33)29-37-27-17-7-5-15-25-35-23-13-3-4-14-24-36-26-16-6-8-18-28-38-30-32-20-10-12-22-34(32)40-2/h9-12,19-22,35-38H,3-8,13-18,23-30H2,1-2H3 | 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 | 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50020168
(1N-(2-methoxybenzyl)-6N-(2-{2-[6-(2-methoxybenzyla...)Show SMILES COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50422271
(CHEMBL134382)Show SMILES COc1ccccc1CNCCCCCCNCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C33H56N4O2/c1-38-32-20-10-8-18-30(32)28-36-26-14-5-3-12-22-34-24-16-7-17-25-35-23-13-4-6-15-27-37-29-31-19-9-11-21-33(31)39-2/h8-11,18-21,34-37H,3-7,12-17,22-29H2,1-2H3 | 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 | 7.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50422271
(CHEMBL134382)Show SMILES COc1ccccc1CNCCCCCCNCCCCCNCCCCCCNCc1ccccc1OC Show InChI InChI=1S/C33H56N4O2/c1-38-32-20-10-8-18-30(32)28-36-26-14-5-3-12-22-34-24-16-7-17-25-35-23-13-4-6-15-27-37-29-31-19-9-11-21-33(31)39-2/h8-11,18-21,34-37H,3-7,12-17,22-29H2,1-2H3 | 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 | 8.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)] |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50422273
(CHEMBL134488)Show SMILES COc1ccccc1CNCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCNCc1ccccc1OC Show InChI InChI=1S/C36H58N4O4/c1-43-33-21-13-11-19-31(33)29-37-25-15-7-9-23-35(41)39-27-17-5-3-4-6-18-28-40-36(42)24-10-8-16-26-38-30-32-20-12-14-22-34(32)44-2/h11-14,19-22,37-38H,3-10,15-18,23-30H2,1-2H3,(H,39,41)(H,40,42) | 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 | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)] |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50067482
(6-[(2-Methoxy-benzyl)-methyl-amino]-hexanoic acid ...)Show SMILES COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC Show InChI InChI=1S/C40H66N4O4/c1-41(33-35-23-15-17-25-37(35)47-5)29-19-11-13-27-39(45)43(3)31-21-9-7-8-10-22-32-44(4)40(46)28-14-12-20-30-42(2)34-36-24-16-18-26-38(36)48-6/h15-18,23-26H,7-14,19-22,27-34H2,1-6H3 | 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 | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)] |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50455151
(CHEMBL132133)Show InChI InChI=1S/C16H38N4S2/c17-9-5-1-3-7-11-19-13-15-21-22-16-14-20-12-8-4-2-6-10-18/h19-20H,1-18H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of acetylcholinesterase (AChE) of human erythrocytes |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |
Cholinesterase
(Homo sapiens (Human)) | BDBM50455151
(CHEMBL132133)Show InChI InChI=1S/C16H38N4S2/c17-9-5-1-3-7-11-19-13-15-21-22-16-14-20-12-8-4-2-6-10-18/h19-20H,1-18H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.46E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bologna
Curated by ChEMBL
| Assay Description Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)] |
J Med Chem 41: 4186-9 (1998)
Checked by Author Article DOI: 10.1021/jm9810452 BindingDB Entry DOI: 10.7270/Q2HH6KRM |
More data for this Ligand-Target Pair | |