| Reaction Details |
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 | Report a problem with these data |
| Target | Carboxylic ester hydrolase |
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| Ligand | BDBM74685 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_649486 (CHEMBL1219184) |
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| IC50 | >100000±n/a nM |
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| Citation |  Samadi, A; Marco-Contelles, J; Soriano, E; Alvarez-Pérez, M; Chioua, M; Romero, A; González-Lafuente, L; Gandía, L; Roda, JM; López, MG; Villarroya, M; García, AG; Ríos, Cde L Multipotent drugs with cholinergic and neuroprotective properties for the treatment of Alzheimer and neuronal vascular diseases. I. Synthesis, biological assessment, and molecular modeling of simple and readily available 2-aminopyridine-, and 2-chloropyridine-3,5-dicarbonitriles. Bioorg Med Chem18:5861-72 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Carboxylic ester hydrolase |
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| Name: | Carboxylic ester hydrolase |
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| Synonyms: | BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor |
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| Type: | Protein |
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| Mol. Mass.: | 68842.83 |
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| Organism: | Equus caballus (Horse) |
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| Description: | Q9N1N9 |
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| Residue: | 602 |
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| Sequence: | MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIP
YAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDC
LYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALG
FLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPR
SQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEI
LLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVY
GAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDV
VGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLER
RVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYT
KLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCS
DF
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| BDBM74685 |
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| n/a |
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| Name | BDBM74685 |
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| Synonyms: | 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile | 2-amino-4-phenyl-6-thioxo-1H-pyridine-3,5-dicarbonitrile | 2-azanyl-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile | CHEMBL1215100 | MLS000105852 | SMR000102827 | cid_780902 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H8N4S |
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| Mol. Mass. | 252.294 |
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| SMILES | Nc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C#N |
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| Structure | 
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