| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholinesterase |
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| Ligand | BDBM10849 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_969870 (CHEMBL2404670) |
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| IC50 | 7250±n/a nM |
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| Citation |  Mohamed, T; Osman, W; Tin, G; Rao, PP Selective inhibition of human acetylcholinesterase by xanthine derivatives: in vitro inhibition and molecular modeling investigations. Bioorg Med Chem Lett23:4336-41 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Acetylcholinesterase |
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| Name: | Acetylcholinesterase |
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| Synonyms: | ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) |
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| Type: | Enzyme |
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| Mol. Mass.: | 67792.70 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P22303 |
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| Residue: | 614 |
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| Sequence: | MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
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| BDBM10849 |
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| n/a |
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| Name | BDBM10849 |
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| Synonyms: | 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | 1,3,7-trimethyl-3,7-dihydropurine-2,6-dione | CHEMBL113 | Caffeine (1,3,7-trimethylxanthine) | caffeine |
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| Type | Small organic molecule |
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| Emp. Form. | C8H10N4O2 |
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| Mol. Mass. | 194.1906 |
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| SMILES | Cn1cnc2n(C)c(=O)n(C)c(=O)c12 |
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| Structure | 
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