Found 4 hits for monomerid = 50380549 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50380549
(CHEMBL2019044)Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C33H38ClN3O4/c34-22-13-15-25-28(19-22)37-27-12-8-7-11-24(27)32(25)35-17-9-5-3-1-2-4-6-10-18-36-33(40)31-21-29(39)26-20-23(38)14-16-30(26)41-31/h13-16,19-21,38H,1-12,17-18H2,(H,35,37)(H,36,40) | 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 |
Instituto de Qu£mica M£dica
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes AChE by Ellman's method |
J Med Chem 55: 1303-17 (2012)
Article DOI: 10.1021/jm201460y BindingDB Entry DOI: 10.7270/Q2M32WS2 |
More data for this Ligand-Target Pair | |
Cholinesterases
(Homo sapiens (Human)) | BDBM50380549
(CHEMBL2019044)Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C33H38ClN3O4/c34-22-13-15-25-28(19-22)37-27-12-8-7-11-24(27)32(25)35-17-9-5-3-1-2-4-6-10-18-36-33(40)31-21-29(39)26-20-23(38)14-16-30(26)41-31/h13-16,19-21,38H,1-12,17-18H2,(H,35,37)(H,36,40) | 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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica
Curated by ChEMBL
| Assay Description Inhibition of human serum BChE by Ellman's method |
J Med Chem 55: 1303-17 (2012)
Article DOI: 10.1021/jm201460y BindingDB Entry DOI: 10.7270/Q2M32WS2 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Bos taurus (bovine)) | BDBM50380549
(CHEMBL2019044)Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C33H38ClN3O4/c34-22-13-15-25-28(19-22)37-27-12-8-7-11-24(27)32(25)35-17-9-5-3-1-2-4-6-10-18-36-33(40)31-21-29(39)26-20-23(38)14-16-30(26)41-31/h13-16,19-21,38H,1-12,17-18H2,(H,35,37)(H,36,40) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica
Curated by ChEMBL
| Assay Description Inhibition of bovine erythrocytes AChE by Ellman's method |
J Med Chem 55: 1303-17 (2012)
Article DOI: 10.1021/jm201460y BindingDB Entry DOI: 10.7270/Q2M32WS2 |
More data for this Ligand-Target Pair | |
Butyrylcholinesterase (BuChE)
(Equus caballus (Horse)) | BDBM50380549
(CHEMBL2019044)Show SMILES Oc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C33H38ClN3O4/c34-22-13-15-25-28(19-22)37-27-12-8-7-11-24(27)32(25)35-17-9-5-3-1-2-4-6-10-18-36-33(40)31-21-29(39)26-20-23(38)14-16-30(26)41-31/h13-16,19-21,38H,1-12,17-18H2,(H,35,37)(H,36,40) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica
Curated by ChEMBL
| Assay Description Inhibition of horse serum BChE by Ellman's method |
J Med Chem 55: 1303-17 (2012)
Article DOI: 10.1021/jm201460y BindingDB Entry DOI: 10.7270/Q2M32WS2 |
More data for this Ligand-Target Pair | |