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Target
Cholinesterase
Ligand
BDBM50312892
Substrate
n/a
Meas. Tech.
ChEMBL_615895 (CHEMBL1102909)
IC50
14±n/a nM
Citation
 Takahashi, J; Hijikuro, I; Kihara, T; Murugesh, MG; Fuse, S; Tsumura, Y; Akaike, A; Niidome, T; Takahashi, T; Sugimoto, H Design, synthesis and evaluation of carbamate-modified (-)-N(1)-phenethylnorphysostigmine derivatives as selective butyrylcholinesterase inhibitors. Bioorg Med Chem Lett 20:1721-3 (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:
BDBM50312892
Synonyms:
3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alpha-hexahydropyrrolo[2,3-b]indol-5-yl hexylcarbamate | CHEMBL1080546
Type:
Small organic molecule
Emp. Form.:
C27H37N3O2
Mol. Mass.:
435.6016
SMILES:
CCCCCCNC(=O)Oc1ccc2N(C)[C@H]3N(CCc4ccccc4)CC[C@@]3(C)c2c1 |r|
Structure:
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