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Target
Acetylcholinesterase
Ligand
BDBM50091285
Substrate
n/a
Meas. Tech.
ChEMBL_1500179 (CHEMBL3584728)
IC50
1213±n/a nM
Citation
 Gazzard, L; Williams, K; Chen, H; Axford, L; Blackwood, E; Burton, B; Chapman, K; Crackett, P; Drobnick, J; Ellwood, C; Epler, J; Flagella, M; Gancia, E; Gill, M; Goodacre, S; Halladay, J; Hewitt, J; Hunt, H; Kintz, S; Lyssikatos, J; Macleod, C; Major, S; Médard, G; Narukulla, R; Ramiscal, J; Schmidt, S; Seward, E; Wiesmann, C; Wu, P; Yee, S; Yen, I; Malek, S Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. J Med Chem 58:5053-74 (2015) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50091285
Synonyms:
CHEMBL3582230
Type:
Small organic molecule
Emp. Form.:
C26H24N6
Mol. Mass.:
420.509
SMILES:
C(N1CCCCC1)c1ccc(cc1)-c1cnc2[nH]c3cnc(cc3c2c1)-c1cnccn1
Structure:
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