Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM175405 |
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Substrate/Competitor | n/a |
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Meas. Tech. | AChE and BChE Inhibition Activity |
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pH | 8±n/a |
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IC50 | 1.69e+4± 9.5e+2 nM |
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Comments | extracted |
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Citation | Hameed, A; Zehra, ST; Abbas, S; Nisa, RU; Mahmood, T; Ayub, K; Al-Rashida, M; Bajorath, J; Khan, KM; Iqbal, J One-pot synthesis of tetrazole-1,2,5,6-tetrahydronicotinonitriles and cholinesterase inhibition: Probing the plausible reaction mechanism via computational studies. Bioorg Chem65:38-47 (2016) [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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BDBM175405 |
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n/a |
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Name | BDBM175405 |
Synonyms: | 2-[3-cyano-6-methyl-4,6-bis(4-methylphenyl)-1,2,5,6-tetrahydropyridin-2-ylidene]propanedinitrile (5b) |
Type | Small organic molecule |
Emp. Form. | C24H20N4 |
Mol. Mass. | 364.4424 |
SMILES | [#6]-c1ccc(cc1)-[#6]-1=[#6](C#N)\[#6](-[#7]C([#6])([#6]-1)c1ccc(-[#6])cc1)=[#6](/C#N)C#N |c:8| |
Structure |
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