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Target
Carboxylic ester hydrolase
Ligand
BDBM50004691
Substrate
n/a
Meas. Tech.
ChEMBL_893811 (CHEMBL3048912)
IC50
46000±n/a nM
Citation
 Ma, HJ; Xie, RL; Zhao, QF; Mei, XD; Ning, J Synthesis and insecticidal activity of novel carbamate derivatives as potential dual-binding site acetylcholinesterase inhibitors. J Agric Food Chem 58:12817-21 (2010) [PubMed]  Article 
Target
Name:
Carboxylic ester hydrolase
Synonyms:
Acetylcholinesterase | Ache
Type:
PROTEIN
Mol. Mass.:
76704.18
Organism:
Musca domestica
Description:
ChEMBL_105533
Residue:
692
Sequence:
MARSVRTPISPSSSSSSRSSWSSPSSSSFYSLLSSFKASLTRPSSSSSVAHHLAARNNDICRGLFATLVILLRMSALTSAMTDHLTVQTTSGPVRGRSVTVQGRDVHVFTGIPYAKPPVDDLRFRKPVPAEPWHGVLDATRLPATCVQERYEYFPGFSGEEMWNPNTNVSEDCLFMNIWAPAKARLRHGRGTNGGEHSSKTDQDHLIHSATPQNTTNGLPILIWIYGGGFMTGSATLDIYNAEIMSAVGNVIVASFQYRVGAFGFLHLSPVMPGFEEEAPGNVGLWDQALALRWLKENARAFGGNPEWMTLFGGSSGSSSVNAQLMSPVTRGLVKRGMMQSATMNAPWSHMTSEKAVEIGKALVNDCNCNASLLPENPQAVMACMRQVDAKTISVQQWNSYSGILSYPSAPTIDGAFLPADPMTLLKTADLSGYDILIGNVKDEGAYFLLYDFIDYFDKDDATSLPRDKYLEIMNNIFQKASQAEREAIIFQYTSWEGNPGYQNQQQIGRAVGDHFFTCPTNEYAQALAERGASVHYYYFTHRTSTSLWGEWMGVLHGDEIEYFFGQPLNNSLQYRPVERELGKRMLNSVIEFAKSGNPAVDGEEWPNFSKEDPVYYVFSTDEKIEKLQRGPLAKRCSFWNDYLPKVRSWIGSECENKSSTSASATIYEMKMQQLTLLAVAIILTMVNSIFQ
  
Inhibitor
Name:
BDBM50004691
Synonyms:
CHEMBL2230095
Type:
Small organic molecule
Emp. Form.:
C18H20N2O6
Mol. Mass.:
360.3612
SMILES:
CNC(=O)Oc1cccc(OCCCCOc2ccc(cc2)[N+]([O-])=O)c1
Structure:
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