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Target
Cholinesterase
Ligand
BDBM50312804
Substrate
n/a
Meas. Tech.
ChEMBL_615850 (CHEMBL1101960)
IC50
510±n/a nM
Citation
 Takahashi, J; Hijikuro, I; Kihara, T; Murugesh, MG; Fuse, S; Kunimoto, R; Tsumura, Y; Akaike, A; Niidome, T; Okuno, Y; Takahashi, T; Sugimoto, H Design, synthesis, evaluation and QSAR analysis of N(1)-substituted norcymserine derivatives as selective butyrylcholinesterase inhibitors. Bioorg Med Chem Lett 20:1718-20 (2010) [PubMed]  Article 
Target
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:
MQTQHTKVTQTHFLLWILLLCMPFGKSHTEEDFIITTKTGRVRGLSMPVLGGTVTAFLGIPYAQPPLGSLRFKKPQPLNKWPDIHNATQYANSCYQNIDQAFPGFQGSEMWNPNTNLSEDCLYLNVWIPVPKPKNATVMVWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLAFPGNPDAPGNMGLFDQQLALQWVQRNIAAFGGNPKSITIFGESAGAASVSLHLLCPQSYPLFTRAILESGSSNAPWAVKHPEEARNRTLTLAKFTGCSKENEMEMIKCLRSKDPQEILRNERFVLPSDSILSINFGPTVDGDFLTDMPHTLLQLGKVKKAQILVGVNKDEGTAFLVYGAPGFSKDNDSLITRKEFQEGLNMYFPGVSRLGKEAVLFYYVDWLGEQSPEVYRDALDDVIGDYNIICPALEFTKKFAELENNAFFYFFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLGRRVNYTRAEEIFSRSIMKTWANFAKYGHPNGTQGNSTMWPVFTSTEQKYLTLNTEKSKIYSKLRAPQCQFWRLFFPKVLEMTGDIDETEQEWKAGFHRWSNYMMDWQNQFNDYTSKKESCTAL
  
Inhibitor
Name:
BDBM50312804
Synonyms:
(3aS,8aR)-3a,8-dimethyl-1-(3-phenylpropyl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl 4-isopropylphenylcarbamate | CHEMBL1087152
Type:
Small organic molecule
Emp. Form.:
C31H37N3O2
Mol. Mass.:
483.6444
SMILES:
CC(C)c1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(CCCc5ccccc5)CC[C@@]4(C)c3c2)cc1 |r|
Structure:
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