Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50034002 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_41420 (CHEMBL654401) |
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IC50 | 3400±n/a nM |
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Citation | Nagel, AA; Liston, DR; Jung, S; Mahar, M; Vincent, LA; Chapin, D; Chen, YL; Hubbard, S; Ives, JL; Jones, SB Design and synthesis of 1-heteroaryl-3-(1-benzyl-4-piperidinyl)propan-1-one derivatives as potent, selective acetylcholinesterase inhibitors. J Med Chem38:1084-9 (1995) [PubMed] |
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More Info.: | Get all data from this article, Assay Method |
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Cholinesterase |
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Name: | Cholinesterase |
Synonyms: | Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase |
Type: | Homotetramer |
Mol. Mass.: | 68422.27 |
Organism: | Homo sapiens (Human) |
Description: | P06276 |
Residue: | 602 |
Sequence: | MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDC
LYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALG
FLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPG
SHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEI
LLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDV
VGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLER
RDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMT
KLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCV
GL
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BDBM50034002 |
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n/a |
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Name | BDBM50034002 |
Synonyms: | 3-(1-Benzyl-piperidin-4-yl)-1-(2-methyl-benzothiazol-6-yl)-propan-1-one; hydrochloride | CHEMBL1084275 | CHEMBL542543 |
Type | Small organic molecule |
Emp. Form. | C23H26N2OS |
Mol. Mass. | 378.53 |
SMILES | Cc1nc2ccc(cc2s1)C(=O)CCC1CCN(Cc2ccccc2)CC1 |
Structure |
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