Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50572067
Substrate
n/a
Meas. Tech.
ChEMBL_2116204 (CHEMBL4825145)
IC50
8.0±n/a nM
Citation
 Schwarthoff, S; Tischer, N; Sager, H; Schätz, B; Rohrbach, MM; Raztsou, I; Robaa, D; Gaube, F; Arndt, HD; Winckler, T Evaluation of γ-carboline-phenothiazine conjugates as simultaneous NMDA receptor blockers and cholinesterase inhibitors. Bioorg Med Chem 46:0 (2021) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Cholinesterase | CHLE_HORSE | BCHE | Butyrylcholinesterase (BuChE)
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Horse
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50572067
Synonyms:
CHEMBL4864593
Type:
Small organic molecule
Emp. Form.:
C26H18FN3OS
Mol. Mass.:
439.52
SMILES:
Fc1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3ccncc3c2c1
Structure:
Search PDB for entries with ligand similarity: