Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50070476' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50070476
((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-p...)Show SMILES Fc1cccc(F)c1-c1c2ccc(n2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc1n2 |(4.84,-12.94,;6.16,-13.74,;6.12,-15.28,;7.42,-16.09,;8.78,-15.35,;8.82,-13.81,;10.18,-13.08,;7.51,-13.01,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;12.86,-10.38,;15.24,-9.15,;16.08,-7.84,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;6.28,-1.17,;4.94,-1.94,;6.28,.37,;7.61,1.14,;8.94,.37,;8.94,-1.17,;10.29,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;2.29,-4.79,;,-6.12,;-.79,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)| Show InChI InChI=1S/C44H22F8N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50/h1-20,53-54H/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+ | UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition constant (Ki) against electric eel Acetylcholinesterase as Km/Vmax versus inhibitor concentration replot |
Bioorg Med Chem Lett 10: 1435-8 (2000)
BindingDB Entry DOI: 10.7270/Q20K27SF |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Electrophorus electricus (Electric eel)) | BDBM50070476
((1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-p...)Show SMILES Fc1cccc(F)c1-c1c2ccc(n2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc1n2 |(4.84,-12.94,;6.16,-13.74,;6.12,-15.28,;7.42,-16.09,;8.78,-15.35,;8.82,-13.81,;10.18,-13.08,;7.51,-13.01,;7.56,-11.47,;8.91,-10.74,;10.29,-11.39,;11.36,-10.27,;10.62,-8.92,;9.1,-9.2,;11.46,-7.63,;13,-7.7,;13.7,-9.08,;12.86,-10.38,;15.24,-9.15,;16.08,-7.84,;15.37,-6.49,;13.83,-6.41,;13.13,-5.05,;10.62,-6.1,;11.39,-4.77,;10.36,-3.62,;8.94,-4.25,;9.1,-5.78,;7.61,-3.48,;7.61,-1.94,;6.28,-1.17,;4.94,-1.94,;6.28,.37,;7.61,1.14,;8.94,.37,;8.94,-1.17,;10.29,-1.94,;6.28,-4.25,;4.87,-3.62,;3.85,-4.77,;4.6,-6.11,;6.12,-5.79,;3.85,-7.45,;2.31,-7.45,;1.52,-6.12,;2.29,-4.79,;,-6.12,;-.79,-7.46,;-.02,-8.8,;1.54,-8.8,;2.31,-10.13,;4.62,-8.78,;3.81,-10.08,;4.81,-11.25,;6.24,-10.67,;6.12,-9.13,)| Show InChI InChI=1S/C44H22F8N4/c45-21-5-1-6-22(46)37(21)41-29-13-15-31(53-29)42(38-23(47)7-2-8-24(38)48)33-17-19-35(55-33)44(40-27(51)11-4-12-28(40)52)36-20-18-34(56-36)43(32-16-14-30(41)54-32)39-25(49)9-3-10-26(39)50/h1-20,53-54H/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+ | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Taejon National University of Technology
Curated by ChEMBL
| Assay Description
Compound was evaluated for inhibitory constant for the electric eel Acetylcholinesterase (AChE) |
Bioorg Med Chem Lett 8: 1467-70 (1999)
BindingDB Entry DOI: 10.7270/Q21835ND |
More data for this
Ligand-Target Pair | |
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