Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50211242
Substrate
n/a
Meas. Tech.
ChEMBL_455571 (CHEMBL886351)
IC50
30.51±n/a nM
Citation
 Tang, H; Ning, FX; Wei, YB; Huang, SL; Huang, ZS; Chan, AS; Gu, LQ Derivatives of oxoisoaporphine alkaloids: a novel class of selective acetylcholinesterase inhibitors. Bioorg Med Chem Lett 17:3765-8 (2007) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electric eel
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM50211242
Synonyms:
4-dimethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthracen-9-yl)-butyramide | 9-[4-(Dimethylamino)butyramido]-1-azabenzanthrone | CHEMBL245472
Type:
Small organic molecule
Emp. Form.:
C22H21N3O2
Mol. Mass.:
359.421
SMILES:
CN(C)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Structure:
Search PDB for entries with ligand similarity: