Ki Summary

Reaction Details

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Target

Acetylcholinesterase

Ligand

BDBM50190757

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_369156 (CHEMBL862883)

IC50

>3000±n/a nM

Citation

Pryde, DC; Maw, GN; Planken, S; Platts, MY; Sanderson, V; Corless, M; Stobie, A; Barber, CG; Russell, R; Foster, L; Barker, L; Wayman, C; Van Der Graaf, P; Stacey, P; Morren, D; Kohl, C; Beaumont, K; Coggon, S; Tute, M Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Synthesis and activity of functionalized glutaramides. J Med Chem49:4409-24 (2006) [PubMed] Article

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

BDBM50190757

n/a

Name

BDBM50190757

Synonyms:

CHEMBL439508 | cis-2-((1-((4-carbamoylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid

Type

Small organic molecule

Emp. Form.

C19H32N2O4

Mol. Mass.

352.4684

SMILES

CCCC(CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(N)=O)C(O)=O |wU:13.13,16.20,(-5.69,-23.39,;-5.69,-24.93,;-4.36,-25.7,;-4.36,-27.24,;-3.03,-28.01,;-1.69,-27.24,;-2.94,-26.34,;-2.46,-24.87,;-.92,-24.87,;-.45,-26.34,;-.36,-28.01,;-.36,-29.55,;.97,-27.24,;2.31,-28.01,;3.63,-27.24,;4.97,-28.02,;4.96,-29.56,;3.62,-30.32,;2.3,-29.55,;6.29,-30.33,;7.63,-29.57,;6.29,-31.87,;-5.69,-28.01,;-7.03,-27.24,;-5.69,-29.55,)|

Structure