| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cholinesterase |
|---|
| Ligand | BDBM50500758 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1549818 (CHEMBL3757702) |
|---|
| IC50 | 34000±n/a nM |
|---|
| Citation |  Makhaeva, GF; Boltneva, NP; Lushchekina, SV; Serebryakova, OG; Stupina, TS; Terentiev, AA; Serkov, IV; Proshin, AN; Bachurin, SO; Richardson, RJ Synthesis, molecular docking and biological evaluation of N,N-disubstituted 2-aminothiazolines as a new class of butyrylcholinesterase and carboxylesterase inhibitors. Bioorg Med Chem24:1050-62 (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
|
|
|
|---|
| BDBM50500758 |
|---|
| n/a |
|---|
| Name | BDBM50500758 |
|---|
| Synonyms: | CHEMBL3753216 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C19H22Br2N2OS |
|---|
| Mol. Mass. | 486.264 |
|---|
| SMILES | Br.COc1ccc(CN(Cc2ccccc2)C2=NCC(CBr)S2)cc1 |t:16| |
|---|
| Structure | 
|
|---|
Search and Browse
