Reaction Details Report a problem with these data
Target
Cholinesterase
Ligand
BDBM50513788
Substrate
n/a
Meas. Tech.
ChEMBL_1854517 (CHEMBL4355246)
IC50
>20000±n/a nM
Citation
 Huang, YY; Yu, YF; Zhang, C; Chen, Y; Zhou, Q; Li, Z; Zhou, S; Li, Z; Guo, L; Wu, D; Wu, Y; Luo, HB Validation of Phosphodiesterase-10 as a Novel Target for Pulmonary Arterial Hypertension via Highly Selective and Subnanomolar Inhibitors. J Med Chem 62:3707-3721 (2019) [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:
BDBM50513788
Synonyms:
CHEMBL4558162
Type:
Small organic molecule
Emp. Form.:
C27H20N4O2
Mol. Mass.:
432.4733
SMILES:
Cc1ccc2n(c(CCN3C(=O)c4cccc5cccc(C3=O)c45)nc2c1)-c1ccncc1
Structure:
Search PDB for entries with ligand similarity: