Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50357948
Substrate
n/a
Meas. Tech.
ChEMBL_787085 (CHEMBL1918652)
IC50
43000±n/a nM
Citation
 Martins, C; Carreiras, MC; León, R; de los Ríos, C; Bartolini, M; Andrisano, V; Iriepa, I; Moraleda, I; Gálvez, E; García, M; Egea, J; Samadi, A; Chioua, M; Marco-Contelles, J Synthesis and biological assessment of diversely substituted furo[2,3-b]quinolin-4-amine and pyrrolo[2,3-b]quinolin-4-amine derivatives, as novel tacrine analogues. Eur J Med Chem 46:6119-30 (2011) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Equus caballus (Horse)
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50357948
Synonyms:
CHEMBL1916928
Type:
Small organic molecule
Emp. Form.:
C18H17ClN2O
Mol. Mass.:
312.793
SMILES:
Nc1c2CCCCCc2nc2oc(cc12)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: