| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cholinesterase |
|---|
| Ligand | BDBM50004000 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1565847 (CHEMBL3789710) |
|---|
| IC50 | 78±n/a nM |
|---|
| Citation |  Sawatzky, E; Wehle, S; Kling, B; Wendrich, J; Bringmann, G; Sotriffer, CA; Heilmann, J; Decker, M Discovery of Highly Selective and Nanomolar Carbamate-Based Butyrylcholinesterase Inhibitors by Rational Investigation into Their Inhibition Mode. J Med Chem59:2067-82 (2016) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cholinesterase |
|---|
| Name: | Cholinesterase |
|---|
| Synonyms: | BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 65643.35 |
|---|
| Organism: | Equus caballus (Horse) |
|---|
| Description: | P81908 |
|---|
| Residue: | 574 |
|---|
| Sequence: | EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATK
YANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQT
GTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQK
NIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEAR
NRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLT
DMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPR
VSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYY
FEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNP
NGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAE
REWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
|
|
|
|---|
| BDBM50004000 |
|---|
| n/a |
|---|
| Name | BDBM50004000 |
|---|
| Synonyms: | (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate | Antilirium | CHEMBL94 | Eserine | Physostol | physostigmine |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C15H21N3O2 |
|---|
| Mol. Mass. | 275.3461 |
|---|
| SMILES | CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
