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PubMed code 21510637

Compile data set for download or QSAR
Found 9 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))
BDBM50199522
PNG
((+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylid...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |r,c:18,THB:1:2:14.15.17:5.11.4|
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


J Nat Prod 74: 997-1002 (2011)


Article DOI: 10.1021/np100889v
BindingDB Entry DOI: 10.7270/Q21V5FXX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347543
PNG
(CHEMBL1801948)
Show SMILES C[C@H]1CCCC(=O)C(=O)C(=O)CCCc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H20O7/c1-10-4-2-6-13(20)17(23)14(21)7-3-5-11-8-12(19)9-15(22)16(11)18(24)25-10/h8-10,19,22H,2-7H2,1H3/t10-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


J Nat Prod 74: 997-1002 (2011)


Article DOI: 10.1021/np100889v
BindingDB Entry DOI: 10.7270/Q21V5FXX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347542
PNG
(CHEMBL1801784)
Show SMILES COc1c(cc(O)c2c1oc1cc(O)c(O)cc21)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14O6/c1-24-18-11(9-2-4-10(20)5-3-9)6-15(23)17-12-7-13(21)14(22)8-16(12)25-19(17)18/h2-8,20-23H,1H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


J Nat Prod 74: 997-1002 (2011)


Article DOI: 10.1021/np100889v
BindingDB Entry DOI: 10.7270/Q21V5FXX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347539
PNG
(CHEMBL1801782)
Show SMILES COc1c(O)c(c(O)cc1-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C19H16O5/c1-24-19-15(11-2-6-13(20)7-3-11)10-16(22)17(18(19)23)12-4-8-14(21)9-5-12/h2-10,20-23H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


J Nat Prod 74: 997-1002 (2011)


Article DOI: 10.1021/np100889v
BindingDB Entry DOI: 10.7270/Q21V5FXX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347538
PNG
(CHEMBL1801781)
Show SMILES CC[C@H](C)C(=O)[C@@H]1[C@H]2[C@@H]3[C@@H](O)OC(C)=CC3=CC(=O)[C@]2(C)OC1=O |r,c:13,16|
Show InChI InChI=1S/C18H22O6/c1-5-8(2)15(20)13-14-12-10(6-9(3)23-16(12)21)7-11(19)18(14,4)24-17(13)22/h6-8,12-14,16,21H,5H2,1-4H3/t8-,12+,13-,14+,16-,18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


J Nat Prod 74: 997-1002 (2011)


Article DOI: 10.1021/np100889v
BindingDB Entry DOI: 10.7270/Q21V5FXX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347541
PNG
(CHEMBL465798)
Show SMILES COc1c(O)c(c(O)cc1-c1ccc(O)c(O)c1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16O7/c1-26-19-11(9-2-4-12(20)14(22)6-9)8-16(24)17(18(19)25)10-3-5-13(21)15(23)7-10/h2-8,20-25H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


J Nat Prod 74: 997-1002 (2011)


Article DOI: 10.1021/np100889v
BindingDB Entry DOI: 10.7270/Q21V5FXX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347537
PNG
(CHEMBL1801780)
Show SMILES CC[C@H](C)C(=O)[C@@H]1[C@H]2C3=COC(C)=CC3=CC(=O)[C@]2(C)OC1=O |r,c:12,15,t:8|
Show InChI InChI=1S/C18H20O5/c1-5-9(2)16(20)14-15-12-8-22-10(3)6-11(12)7-13(19)18(15,4)23-17(14)21/h6-9,14-15H,5H2,1-4H3/t9-,14-,15+,18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


J Nat Prod 74: 997-1002 (2011)


Article DOI: 10.1021/np100889v
BindingDB Entry DOI: 10.7270/Q21V5FXX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347540
PNG
(CHEMBL1801783)
Show SMILES COc1c(O)c(c(O)cc1-c1ccc(O)cc1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C19H16O6/c1-25-19-13(10-2-5-12(20)6-3-10)9-16(23)17(18(19)24)11-4-7-14(21)15(22)8-11/h2-9,20-24H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


J Nat Prod 74: 997-1002 (2011)


Article DOI: 10.1021/np100889v
BindingDB Entry DOI: 10.7270/Q21V5FXX
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347536
PNG
(CHEMBL1801779)
Show SMILES CC[C@H](C)C(=O)C[C@H]1C2=COC(C)=CC2=CC(=O)[C@]1(C)O |r,c:12,15,t:8|
Show InChI InChI=1S/C17H22O4/c1-5-10(2)15(18)8-14-13-9-21-11(3)6-12(13)7-16(19)17(14,4)20/h6-7,9-10,14,20H,5,8H2,1-4H3/t10-,14-,17+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine chloride as substrate after 15 mins by Ellman's method


J Nat Prod 74: 997-1002 (2011)


Article DOI: 10.1021/np100889v
BindingDB Entry DOI: 10.7270/Q21V5FXX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%