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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'ajavakom' and Initial = 'v'   
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))
BDBM50433757
PNG
(CHEMBL2381443)
Show SMILES COc1ccc(cc1)C1NC(=O)N=C(CCc2ccc(O)cc2)C1C(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C28H28N2O5/c1-35-23-14-8-20(9-15-23)27-26(25(33)17-7-19-4-12-22(32)13-5-19)24(29-28(34)30-27)16-6-18-2-10-21(31)11-3-18/h2-5,8-15,26-27,31-32H,6-7,16-17H2,1H3,(H,30,34)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM10404
PNG
((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...)
Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
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n/an/a 1.45E+3n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433756
PNG
(CHEMBL2381442)
Show SMILES Oc1ccc(CCC(=O)C2C(NC(=O)N=C2CCc2ccc(O)cc2)c2ccccc2)cc1
Show InChI InChI=1S/C27H26N2O4/c30-21-12-6-18(7-13-21)10-16-23-25(24(32)17-11-19-8-14-22(31)15-9-19)26(29-27(33)28-23)20-4-2-1-3-5-20/h1-9,12-15,25-26,30-31H,10-11,16-17H2,(H,29,33)
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n/an/a 2.04E+3n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433755
PNG
(CHEMBL2381440)
Show SMILES COc1ccc(cc1)C1NC(=O)N=C(CCc2ccc(O)cc2)C1C(=O)CCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C29H30N2O6/c1-36-22-12-8-20(9-13-22)28-27(25(34)16-7-19-6-15-24(33)26(17-19)37-2)23(30-29(35)31-28)14-5-18-3-10-21(32)11-4-18/h3-4,6,8-13,15,17,27-28,32-33H,5,7,14,16H2,1-2H3,(H,31,35)
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n/an/a 5.78E+3n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433754
PNG
(LETESTUIANIN C | Tetrahydrobisdemethoxycurcumin)
Show SMILES Oc1ccc(CCC(=O)CC(=O)CCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H20O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,20-21H,5-6,11-13H2
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n/an/a 7.89E+3n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433753
PNG
(CHEMBL2381441)
Show SMILES COc1ccc(cc1)C1NC(=O)N=C(CCc2ccc(O)c(OC)c2)C1C(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C29H30N2O6/c1-36-22-12-8-20(9-13-22)28-27(25(34)16-6-18-3-10-21(32)11-4-18)23(30-29(35)31-28)14-5-19-7-15-24(33)26(17-19)37-2/h3-4,7-13,15,17,27-28,32-33H,5-6,14,16H2,1-2H3,(H,31,35)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433752
PNG
(CHEMBL2381438)
Show SMILES COc1cc(CCC(=O)C2C(NC(=O)N=C2CCc2ccc(O)cc2)c2ccccc2)ccc1O
Show InChI InChI=1S/C28H28N2O5/c1-35-25-17-19(10-15-23(25)32)11-16-24(33)26-22(14-9-18-7-12-21(31)13-8-18)29-28(34)30-27(26)20-5-3-2-4-6-20/h2-8,10,12-13,15,17,26-27,31-32H,9,11,14,16H2,1H3,(H,30,34)
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n/an/a 1.07E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433751
PNG
(CHEMBL2381434)
Show SMILES COc1ccc(cc1)C1NC(=O)N=C(CCc2ccc(O)c(OC)c2)C1C(=O)CCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C30H32N2O7/c1-37-21-10-8-20(9-11-21)29-28(25(35)15-7-19-6-14-24(34)27(17-19)39-3)22(31-30(36)32-29)12-4-18-5-13-23(33)26(16-18)38-2/h5-6,8-11,13-14,16-17,28-29,33-34H,4,7,12,15H2,1-3H3,(H,32,36)
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n/an/a 1.43E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433750
PNG
(CHEMBL2381433)
Show SMILES COc1cc(CCC(=O)C2C(NC(=O)N=C2CCc2ccc(O)c(OC)c2)c2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C29H30N2O7/c1-37-25-15-17(4-12-22(25)33)3-11-21-27(24(35)14-6-18-5-13-23(34)26(16-18)38-2)28(31-29(36)30-21)19-7-9-20(32)10-8-19/h4-5,7-10,12-13,15-16,27-28,32-34H,3,6,11,14H2,1-2H3,(H,31,36)
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n/an/a 1.73E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50059989
PNG
((1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-he...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2
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n/an/a 1.83E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433749
PNG
(TETRAHYDRODEMETHOXYCURCUMIN)
Show SMILES COc1cc(CCC(=O)CC(=O)CCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H22O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,21,24H,4-5,9-10,13H2,1H3
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n/an/a 2.06E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433748
PNG
(CHEMBL2381439)
Show SMILES COc1cc(CCC2=NC(=O)NC(C2C(=O)CCc2ccc(O)cc2)c2ccccc2)ccc1O
Show InChI InChI=1S/C28H28N2O5/c1-35-25-17-19(11-15-23(25)32)9-14-22-26(24(33)16-10-18-7-12-21(31)13-8-18)27(30-28(34)29-22)20-5-3-2-4-6-20/h2-8,11-13,15,17,26-27,31-32H,9-10,14,16H2,1H3,(H,30,34)
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n/an/a 2.09E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433747
PNG
(CHEMBL2381430)
Show SMILES COc1cc(CCC(=O)C2C(NC(=O)N=C2CCc2ccc(O)c(OC)c2)c2ccccc2)ccc1O
Show InChI InChI=1S/C29H30N2O6/c1-36-25-16-18(9-13-22(25)32)8-12-21-27(28(31-29(35)30-21)20-6-4-3-5-7-20)24(34)15-11-19-10-14-23(33)26(17-19)37-2/h3-7,9-10,13-14,16-17,27-28,32-33H,8,11-12,15H2,1-2H3,(H,31,35)
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n/an/a 3.63E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
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n/an/a 3.77E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50059985
PNG
(1,7-Bis-(4-hydroxy-3-methoxy-phenyl)-heptane-3,5-d...)
Show SMILES COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
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n/an/a 4.12E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50433746
PNG
(CHEMBL2381437)
Show SMILES COc1cc(CCC(=O)C2C(NC(=O)N=C2CCc2ccc(O)c(OC)c2)c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C30H32N2O8/c1-38-25-14-17(5-10-21(25)33)4-9-20-28(24(36)12-7-18-6-11-22(34)26(15-18)39-2)29(32-30(37)31-20)19-8-13-23(35)27(16-19)40-3/h5-6,8,10-11,13-16,28-29,33-35H,4,7,9,12H2,1-3H3,(H,32,37)
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n/an/a 5.64E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 8.11E+4n/an/an/an/an/an/a



Ramkhamhaeng University

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 2880-2 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.069
BindingDB Entry DOI: 10.7270/Q22Z16WD
More data for this
Ligand-Target Pair