Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50333157 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_701317 (CHEMBL1648937) |
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IC50 | >30000±n/a nM |
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Citation | Samadi, A; Valderas, C; de los Ríos, C; Bastida, A; Chioua, M; González-Lafuente, L; Colmena, I; Gandía, L; Romero, A; Del Barrio, L; Martín-de-Saavedra, MD; López, MG; Villarroya, M; Marco-Contelles, J Cholinergic and neuroprotective drugs for the treatment of Alzheimer and neuronal vascular diseases. II. Synthesis, biological assessment, and molecular modelling of new tacrine analogues from highly substituted 2-aminopyridine-3-carbonitriles. Bioorg Med Chem19:122-33 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Acetylcholinesterase |
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Name: | Acetylcholinesterase |
Synonyms: | ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache |
Type: | Enzyme |
Mol. Mass.: | 71812.79 |
Organism: | Electrophorus electricus (Electric eel) |
Description: | n/a |
Residue: | 633 |
Sequence: | MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFA
EPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLY
LNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGF
LALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDS
RPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLI
DQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYG
APGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIV
GDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHR
ASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINV
DGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAE
RQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
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BDBM50333157 |
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n/a |
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Name | BDBM50333157 |
Synonyms: | 5-Amino-2-chloro-4-phenyl-6,7,8,9-tetrahydrobenzo[1,8-b]-naphthyridine-3-carbonitrile | CHEMBL1644730 |
Type | Small organic molecule |
Emp. Form. | C19H15ClN4 |
Mol. Mass. | 334.802 |
SMILES | Nc1c2CCCCc2nc2nc(Cl)c(C#N)c(-c3ccccc3)c12 |
Structure |
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