Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50236977 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1661209 (CHEMBL4010821) |
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IC50 | 9600±n/a nM |
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Citation | Maryamabadi, A; Hasaninejad, A; Nowrouzi, N; Mohebbi, G Green synthesis of novel spiro-indenoquinoxaline derivatives and their cholinesterases inhibition activity. Bioorg Med Chem25:2057-2064 (2017) [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 (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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BDBM50236977 |
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n/a |
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Name | BDBM50236977 |
Synonyms: | CHEMBL4083875 |
Type | Small organic molecule |
Emp. Form. | C22H14N8O4 |
Mol. Mass. | 454.3978 |
SMILES | NC1=C(C#N)C2(c3ccccc3-c3nc4ccc(cc4nc23)[N+]([O-])=O)C(=C2NCCN12)[N+]([O-])=O |c:1,t:29| |
Structure |
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