| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cholinesterase |
|---|
| Ligand | BDBM50439094 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_980089 (CHEMBL2423526) |
|---|
| IC50 | 3230±n/a nM |
|---|
| Citation |  Basiri, A; Murugaiyah, V; Osman, H; Kumar, RS; Kia, Y; Awang, KB; Ali, MA An expedient, ionic liquid mediated multi-component synthesis of novel piperidone grafted cholinesterase enzymes inhibitors and their molecular modeling study. Eur J Med Chem67:221-9 (2013) [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
|
|
|
|---|
| BDBM50439094 |
|---|
| n/a |
|---|
| Name | BDBM50439094 |
|---|
| Synonyms: | CHEMBL2417667 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C26H30N4OS |
|---|
| Mol. Mass. | 446.608 |
|---|
| SMILES | S=C1NC(C2CN(CCN3CCOCC3)CC(=Cc3ccccc3)C2=N1)c1ccccc1 |w:17.18,c:27| |
|---|
| Structure | 
|
|---|
Search and Browse
