Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50004000 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_615850 (CHEMBL1101960) |
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IC50 | 280±n/a nM |
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Citation | Takahashi, J; Hijikuro, I; Kihara, T; Murugesh, MG; Fuse, S; Kunimoto, R; Tsumura, Y; Akaike, A; Niidome, T; Okuno, Y; Takahashi, T; Sugimoto, H Design, synthesis, evaluation and QSAR analysis of N(1)-substituted norcymserine derivatives as selective butyrylcholinesterase inhibitors. Bioorg Med Chem Lett20:1718-20 (2010) [PubMed] Article |
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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 | Butyrylcholinesterase | CHLE_MOUSE | Choline esterase II | Pseudocholinesterase |
Type: | Protein |
Mol. Mass.: | 68465.99 |
Organism: | Mus musculus (Mouse) |
Description: | Q03311 |
Residue: | 603 |
Sequence: | MQTQHTKVTQTHFLLWILLLCMPFGKSHTEEDFIITTKTGRVRGLSMPVLGGTVTAFLGI
PYAQPPLGSLRFKKPQPLNKWPDIHNATQYANSCYQNIDQAFPGFQGSEMWNPNTNLSED
CLYLNVWIPVPKPKNATVMVWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGAL
GFLAFPGNPDAPGNMGLFDQQLALQWVQRNIAAFGGNPKSITIFGESAGAASVSLHLLCP
QSYPLFTRAILESGSSNAPWAVKHPEEARNRTLTLAKFTGCSKENEMEMIKCLRSKDPQE
ILRNERFVLPSDSILSINFGPTVDGDFLTDMPHTLLQLGKVKKAQILVGVNKDEGTAFLV
YGAPGFSKDNDSLITRKEFQEGLNMYFPGVSRLGKEAVLFYYVDWLGEQSPEVYRDALDD
VIGDYNIICPALEFTKKFAELENNAFFYFFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLG
RRVNYTRAEEIFSRSIMKTWANFAKYGHPNGTQGNSTMWPVFTSTEQKYLTLNTEKSKIY
SKLRAPQCQFWRLFFPKVLEMTGDIDETEQEWKAGFHRWSNYMMDWQNQFNDYTSKKESC
TAL
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BDBM50004000 |
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n/a |
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Name | BDBM50004000 |
Synonyms: | (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate | Antilirium | CHEMBL94 | Eserine | Physostol | physostigmine |
Type | Small organic molecule |
Emp. Form. | C15H21N3O2 |
Mol. Mass. | 275.3461 |
SMILES | CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| |
Structure |
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