Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCholinesterase
LigandBDBM10960
Substrate/Competitorn/a
Meas. Tech.ChEMBL_615850 (CHEMBL1101960)
IC50 240±n/a nM
Citation Takahashi, JHijikuro, IKihara, TMurugesh, MGFuse, SKunimoto, RTsumura, YAkaike, ANiidome, TOkuno, YTakahashi, TSugimoto, H Design, synthesis, evaluation and QSAR analysis of N(1)-substituted norcymserine derivatives as selective butyrylcholinesterase inhibitors. Bioorg Med Chem Lett20:1718-20 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterase
Name:Cholinesterase
Synonyms:Acylcholine acylhydrolase | Bche | Butyrylcholine esterase | Butyrylcholinesterase | CHLE_MOUSE | Choline esterase II | Pseudocholinesterase
Type:Protein
Mol. Mass.:68465.99
Organism:Mus musculus (Mouse)
Description:Q03311
Residue:603
Sequence:
MQTQHTKVTQTHFLLWILLLCMPFGKSHTEEDFIITTKTGRVRGLSMPVLGGTVTAFLGI
PYAQPPLGSLRFKKPQPLNKWPDIHNATQYANSCYQNIDQAFPGFQGSEMWNPNTNLSED
CLYLNVWIPVPKPKNATVMVWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGAL
GFLAFPGNPDAPGNMGLFDQQLALQWVQRNIAAFGGNPKSITIFGESAGAASVSLHLLCP
QSYPLFTRAILESGSSNAPWAVKHPEEARNRTLTLAKFTGCSKENEMEMIKCLRSKDPQE
ILRNERFVLPSDSILSINFGPTVDGDFLTDMPHTLLQLGKVKKAQILVGVNKDEGTAFLV
YGAPGFSKDNDSLITRKEFQEGLNMYFPGVSRLGKEAVLFYYVDWLGEQSPEVYRDALDD
VIGDYNIICPALEFTKKFAELENNAFFYFFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLG
RRVNYTRAEEIFSRSIMKTWANFAKYGHPNGTQGNSTMWPVFTSTEQKYLTLNTEKSKIY
SKLRAPQCQFWRLFFPKVLEMTGDIDETEQEWKAGFHRWSNYMMDWQNQFNDYTSKKESC
TAL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM10960
n/a
NameBDBM10960
Synonyms:(3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-[4-(propan-2-yl)phenyl]carbamate | 4-isopropylphenserine | Cymserine | cymserine.tartaric acid
TypeSmall organic molecule
Emp. Form.C23H29N3O2
Mol. Mass.379.4953
SMILES[H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccc(cc3)C(C)C)ccc1N2C |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: