Reaction Details |
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Target | Acetylcholinesterase |
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Ligand | BDBM50523577 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1890733 (CHEMBL4392487) |
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IC50 | 7200±n/a nM |
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Citation | Arumugam, N; Almansour, AI; Kumar, RS; Kotresha, D; Saiswaroop, R; Venketesh, S Dispiropyrrolidinyl-piperidone embedded indeno[1,2-b]quinoxaline heterocyclic hybrids: Synthesis, cholinesterase inhibitory activity and their molecular docking simulation. Bioorg Med Chem27:2621-2628 (2019) [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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BDBM50523577 |
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n/a |
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Name | BDBM50523577 |
Synonyms: | CHEMBL4452994 |
Type | Small organic molecule |
Emp. Form. | C46H41N5O3 |
Mol. Mass. | 711.8494 |
SMILES | COc1ccc(\C=C2/CNCC3(C(C(Cc4c[nH]c5ccccc45)NC33C4N=c5ccccc5=NC4c4ccccc34)c3ccc(OC)cc3)C2=O)cc1 |c:37,t:30| |
Structure |
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