Ki Summary

Reaction Details

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Target

Acetylcholinesterase

Ligand

BDBM50135148

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_29848

IC50

6166±n/a nM

Citation

Zaheer-ul-Haq, na; Wellenzohn, B; Tonmunphean, S; Khalid, A; Choudhary, MI; Rode, BM 3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA). Bioorg Med Chem Lett13:4375-80 (2003) [PubMed]

More Info.:

Get all data from this article, Assay Method

Acetylcholinesterase

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:

MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL

BDBM50135148

n/a

Name

BDBM50135148

Synonyms:

1N-[14-(1-dimethylaminoethyl)-2,15-dimethyl-(1S,7S,10R,11S)-tetracyclo[8.7.0.02,7.011,15]heptadec-13-en-5-yl]-1N,3,4-trimethyl-(E)-2-pentenamide | 3,4-Dimethyl-pent-2-enoic acid [(S)-17-(1-dimethylamino-ethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-methyl-amide | CHEMBL424100

Type

Small organic molecule

Emp. Form.

C31H52N2O

Mol. Mass.

468.7574

SMILES

CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 |t:21|

Structure