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PubMed code 26913788

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50535795
PNG
(CHEMBL4546010)
Show SMILES [H][C@]12C[C@H](OC)C=C[C@]11c3cc4OCOc4cc3C[N+]([O-])(CCC(C)C)[C@]1([H])C(=O)N2C |r,c:6|
Show InChI InChI=1S/C23H30N2O5/c1-14(2)6-8-25(27)12-15-9-18-19(30-13-29-18)11-17(15)23-7-5-16(28-4)10-20(23)24(3)22(26)21(23)25/h5,7,9,11,14,16,20-21H,6,8,10,12-13H2,1-4H3/t16-,20+,21-,23+,25?/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 5.73E+4n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured every 13 secs by Ellman's method

J Nat Prod 79: 760-6 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00681
BindingDB Entry DOI: 10.7270/Q26T0R6J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50535792
PNG
(CHEMBL4515517)
Show SMILES [H][C@]12C[C@H](OC)C=C[C@]11c3cc4OCOc4cc3C[N+]([O-])(CCc3ccc(O)cc3)[C@]1([H])C(=O)N2C |r,c:6|
Show InChI InChI=1S/C26H28N2O6/c1-27-23-12-19(32-2)7-9-26(23)20-13-22-21(33-15-34-22)11-17(20)14-28(31,24(26)25(27)30)10-8-16-3-5-18(29)6-4-16/h3-7,9,11,13,19,23-24,29H,8,10,12,14-15H2,1-2H3/t19-,23+,24-,26+,28?/m1/s1
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 7.53E+4n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured every 13 secs by Ellman's method

J Nat Prod 79: 760-6 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00681
BindingDB Entry DOI: 10.7270/Q26T0R6J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50535793
PNG
(CHEMBL4550671)
Show SMILES [H][C@]12C[C@H](OC)C=C[C@]11c3cc4OCOc4cc3CN(CCc3c[nH]c4ccccc34)[C@]1([H])C(=O)N2C |r,c:6|
Show InChI InChI=1S/C28H29N3O4/c1-30-25-12-19(33-2)7-9-28(25)21-13-24-23(34-16-35-24)11-18(21)15-31(26(28)27(30)32)10-8-17-14-29-22-6-4-3-5-20(17)22/h3-7,9,11,13-14,19,25-26,29H,8,10,12,15-16H2,1-2H3/t19-,25+,26-,28+/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 1.11E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured every 13 secs by Ellman's method

J Nat Prod 79: 760-6 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00681
BindingDB Entry DOI: 10.7270/Q26T0R6J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50535794
PNG
(CHEMBL4585026)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11[C@@H](O)CN(C)Cc3ccc(O)c(O2)c13 |r,c:5|
Show InChI InChI=1S/C16H19NO4/c1-17-7-9-2-3-11(19)15-14(9)16(12(20)8-17)5-4-10(18)6-13(16)21-15/h2-5,10,12-13,18-20H,6-8H2,1H3/t10-,12-,13-,16-/m0/s1
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/a 1.69E+5n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured every 13 secs by Ellman's method

J Nat Prod 79: 760-6 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00681
BindingDB Entry DOI: 10.7270/Q26T0R6J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%