| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cholinesterase |
|---|
| Ligand | BDBM50244302 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1673527 (CHEMBL4023556) |
|---|
| IC50 | 1585±n/a nM |
|---|
| Citation |  Dolles, D; Hoffmann, M; Gunesch, S; Marinelli, O; Möller, J; Santoni, G; Chatonnet, A; Lohse, MJ; Wittmann, HJ; Strasser, A; Nabissi, M; Maurice, T; Decker, M Structure-Activity Relationships and Computational Investigations into the Development of Potent and Balanced Dual-Acting Butyrylcholinesterase Inhibitors and Human Cannabinoid Receptor 2 Ligands with Pro-Cognitive in Vivo Profiles. J Med Chem61:1646-1663 (2018) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cholinesterase |
|---|
| Name: | Cholinesterase |
|---|
| Synonyms: | Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase |
|---|
| Type: | Homotetramer |
|---|
| Mol. Mass.: | 68422.27 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | P06276 |
|---|
| Residue: | 602 |
|---|
| Sequence: | MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC
LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG
FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG
SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI
LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV
VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER
RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT
KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV
GL
|
|
|
|---|
| BDBM50244302 |
|---|
| n/a |
|---|
| Name | BDBM50244302 |
|---|
| Synonyms: | CHEMBL4061358 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C27H37N3O2 |
|---|
| Mol. Mass. | 435.6016 |
|---|
| SMILES | CCOc1ccc(Cc2nc3cc(ccc3n2CCC(C)C)C(=O)NCCC(C)C)cc1 |
|---|
| Structure | 
|
|---|
Search and Browse
