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PubMed code 27863021

Compile data set for download or QSAR
Found 30 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))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223210
PNG
(2-(4-((Piperidin-1-yl)methyl)phenyl)benzo[d]oxazol...)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C19H20N2O/c1-4-12-21(13-5-1)14-15-8-10-16(11-9-15)19-20-17-6-2-3-7-18(17)22-19/h2-3,6-11H,1,4-5,12-14H2
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n/an/a 1.03E+3n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223219
PNG
(2-(4-((Pyrrolidin-1-yl)methyl)phenyl)benzo[d]oxazo...)
Show SMILES C(N1CCCC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C18H18N2O/c1-2-6-17-16(5-1)19-18(21-17)15-9-7-14(8-10-15)13-20-11-3-4-12-20/h1-2,5-10H,3-4,11-13H2
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n/an/a 1.35E+3n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223213
PNG
(2-(4-(Thiomorpholinomethyl)phenyl)benzo[d]oxazole ...)
Show SMILES C(N1CCSCC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C18H18N2OS/c1-2-4-17-16(3-1)19-18(21-17)15-7-5-14(6-8-15)13-20-9-11-22-12-10-20/h1-8H,9-13H2
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n/an/a 2.55E+3n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223214
PNG
(2-(4-((Piperazin-1-yl)methyl)phenyl)benzo[d]oxazol...)
Show SMILES C(N1CCNCC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C18H19N3O/c1-2-4-17-16(3-1)20-18(22-17)15-7-5-14(6-8-15)13-21-11-9-19-10-12-21/h1-8,19H,9-13H2
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n/an/a 3.45E+3n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223210
PNG
(2-(4-((Piperidin-1-yl)methyl)phenyl)benzo[d]oxazol...)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C19H20N2O/c1-4-12-21(13-5-1)14-15-8-10-16(11-9-15)19-20-17-6-2-3-7-18(17)22-19/h2-3,6-11H,1,4-5,12-14H2
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n/an/a 6.60E+3n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223223
PNG
(N-((4-(benzo[d]oxazol-2-yl)phenyl)methyl)-1-benzyl...)
Show SMILES C(NC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C26H27N3O/c1-2-6-21(7-3-1)19-29-16-14-23(15-17-29)27-18-20-10-12-22(13-11-20)26-28-24-8-4-5-9-25(24)30-26/h1-13,23,27H,14-19H2
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n/an/a 7.76E+3n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223219
PNG
(2-(4-((Pyrrolidin-1-yl)methyl)phenyl)benzo[d]oxazo...)
Show SMILES C(N1CCCC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C18H18N2O/c1-2-6-17-16(5-1)19-18(21-17)15-9-7-14(8-10-15)13-20-11-3-4-12-20/h1-2,5-10H,3-4,11-13H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223213
PNG
(2-(4-(Thiomorpholinomethyl)phenyl)benzo[d]oxazole ...)
Show SMILES C(N1CCSCC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C18H18N2OS/c1-2-4-17-16(3-1)19-18(21-17)15-7-5-14(6-8-15)13-20-9-11-22-12-10-20/h1-8H,9-13H2
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n/an/a 1.69E+4n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223212
PNG
(2-(4-(Morpholinomethyl)phenyl)benzo[d]oxazole (6c))
Show SMILES C(N1CCOCC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C18H18N2O2/c1-2-4-17-16(3-1)19-18(22-17)15-7-5-14(6-8-15)13-20-9-11-21-12-10-20/h1-8H,9-13H2
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n/an/a 2.01E+4n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223214
PNG
(2-(4-((Piperazin-1-yl)methyl)phenyl)benzo[d]oxazol...)
Show SMILES C(N1CCNCC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C18H19N3O/c1-2-4-17-16(3-1)20-18(22-17)15-7-5-14(6-8-15)13-21-11-9-19-10-12-21/h1-8,19H,9-13H2
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n/an/a 2.15E+4n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223220
PNG
((4-(Benzo[d]oxazol-2-yl)phenyl)-Nbenzylmethylamine...)
Show SMILES C(NCc1ccc(cc1)-c1nc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C21H18N2O/c1-2-6-16(7-3-1)14-22-15-17-10-12-18(13-11-17)21-23-19-8-4-5-9-20(19)24-21/h1-13,22H,14-15H2
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n/an/a 2.54E+4n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223221
PNG
((4-(Benzo[d]oxazol-2-yl)phenyl)-N-benzyl-N-methylm...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C22H20N2O/c1-24(15-17-7-3-2-4-8-17)16-18-11-13-19(14-12-18)22-23-20-9-5-6-10-21(20)25-22/h2-14H,15-16H2,1H3
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n/an/a 3.08E+4n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223216
PNG
(2-(4-((4-Ethylpiperazin-1-yl)methyl)phenyl)benzo[d...)
Show SMILES CCN1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1
Show InChI InChI=1S/C20H23N3O/c1-2-22-11-13-23(14-12-22)15-16-7-9-17(10-8-16)20-21-18-5-3-4-6-19(18)24-20/h3-10H,2,11-15H2,1H3
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n/an/a 3.82E+4n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223223
PNG
(N-((4-(benzo[d]oxazol-2-yl)phenyl)methyl)-1-benzyl...)
Show SMILES C(NC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C26H27N3O/c1-2-6-21(7-3-1)19-29-16-14-23(15-17-29)27-18-20-10-12-22(13-11-20)26-28-24-8-4-5-9-25(24)30-26/h1-13,23,27H,14-19H2
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n/an/a 5.01E+4n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223222
PNG
(N-((4-(benzo[d]oxazol-2-yl)phenyl)methyl)-N-benzyl...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C23H22N2O/c1-2-25(16-18-8-4-3-5-9-18)17-19-12-14-20(15-13-19)23-24-21-10-6-7-11-22(21)26-23/h3-15H,2,16-17H2,1H3
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n/an/a 5.64E+4n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223215
PNG
(2-(4-((4-Methylpiperazin-1-yl)methyl)phenyl)benzo[...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1
Show InChI InChI=1S/C19H21N3O/c1-21-10-12-22(13-11-21)14-15-6-8-16(9-7-15)19-20-17-4-2-3-5-18(17)23-19/h2-9H,10-14H2,1H3
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n/an/a 6.22E+4n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223216
PNG
(2-(4-((4-Ethylpiperazin-1-yl)methyl)phenyl)benzo[d...)
Show SMILES CCN1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1
Show InChI InChI=1S/C20H23N3O/c1-2-22-11-13-23(14-12-22)15-16-7-9-17(10-8-16)20-21-18-5-3-4-6-19(18)24-20/h3-10H,2,11-15H2,1H3
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Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223220
PNG
((4-(Benzo[d]oxazol-2-yl)phenyl)-Nbenzylmethylamine...)
Show SMILES C(NCc1ccc(cc1)-c1nc2ccccc2o1)c1ccccc1
Show InChI InChI=1S/C21H18N2O/c1-2-6-16(7-3-1)14-22-15-17-10-12-18(13-11-17)21-23-19-8-4-5-9-20(19)24-21/h1-13,22H,14-15H2
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Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223217
PNG
(2-(4-((4-Phenylpiperazine-1-yl)methyl)phenyl)benzo...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C24H23N3O/c1-2-6-21(7-3-1)27-16-14-26(15-17-27)18-19-10-12-20(13-11-19)24-25-22-8-4-5-9-23(22)28-24/h1-13H,14-18H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223222
PNG
(N-((4-(benzo[d]oxazol-2-yl)phenyl)methyl)-N-benzyl...)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C23H22N2O/c1-2-25(16-18-8-4-3-5-9-18)17-19-12-14-20(15-13-19)23-24-21-10-6-7-11-22(21)26-23/h3-15H,2,16-17H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223211
PNG
(2-(4-((4-Benzylpiperidin-1-yl)methyl)phenyl)benzo[...)
Show SMILES C(C1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1)c1ccccc1
Show InChI InChI=1S/C26H26N2O/c1-2-6-20(7-3-1)18-21-14-16-28(17-15-21)19-22-10-12-23(13-11-22)26-27-24-8-4-5-9-25(24)29-26/h1-13,21H,14-19H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223212
PNG
(2-(4-(Morpholinomethyl)phenyl)benzo[d]oxazole (6c))
Show SMILES C(N1CCOCC1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C18H18N2O2/c1-2-4-17-16(3-1)19-18(22-17)15-7-5-14(6-8-15)13-20-9-11-21-12-10-20/h1-8H,9-13H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223221
PNG
((4-(Benzo[d]oxazol-2-yl)phenyl)-N-benzyl-N-methylm...)
Show SMILES CN(Cc1ccccc1)Cc1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C22H20N2O/c1-24(15-17-7-3-2-4-8-17)16-18-11-13-19(14-12-18)22-23-20-9-5-6-10-21(20)25-22/h2-14H,15-16H2,1H3
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Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223215
PNG
(2-(4-((4-Methylpiperazin-1-yl)methyl)phenyl)benzo[...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1
Show InChI InChI=1S/C19H21N3O/c1-21-10-12-22(13-11-21)14-15-6-8-16(9-7-15)19-20-17-4-2-3-5-18(17)23-19/h2-9H,10-14H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223217
PNG
(2-(4-((4-Phenylpiperazine-1-yl)methyl)phenyl)benzo...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C24H23N3O/c1-2-6-21(7-3-1)27-16-14-26(15-17-27)18-19-10-12-20(13-11-19)24-25-22-8-4-5-9-23(22)28-24/h1-13H,14-18H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223218
PNG
(2-(4-((4-Benzylpiperazin-1-yl)methyl)phenyl)benzo[...)
Show SMILES C(N1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1)c1ccccc1
Show InChI InChI=1S/C25H25N3O/c1-2-6-20(7-3-1)18-27-14-16-28(17-15-27)19-21-10-12-22(13-11-21)25-26-23-8-4-5-9-24(23)29-25/h1-13H,14-19H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM223218
PNG
(2-(4-((4-Benzylpiperazin-1-yl)methyl)phenyl)benzo[...)
Show SMILES C(N1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1)c1ccccc1
Show InChI InChI=1S/C25H25N3O/c1-2-6-20(7-3-1)18-27-14-16-28(17-15-27)19-21-10-12-22(13-11-21)25-26-23-8-4-5-9-24(23)29-25/h1-13H,14-19H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BChE)


(Equus caballus (Horse))
BDBM223211
PNG
(2-(4-((4-Benzylpiperidin-1-yl)methyl)phenyl)benzo[...)
Show SMILES C(C1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1)c1ccccc1
Show InChI InChI=1S/C26H26N2O/c1-2-6-20(7-3-1)18-21-14-16-28(17-15-21)19-22-10-12-23(13-11-22)26-27-24-8-4-5-9-25(24)29-26/h1-13,21H,14-19H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shahid Bahonar University of Kerman



Assay Description
The stock solutions of the target compounds were prepared in a mixture of DMSO (1 ml) and ethanol (9 ml) and diluted with 0.1 MKH2PO4/K2HPO4 buffer (...


Chem Biol Drug Des 89: 783-789 (2017)


Article DOI: 10.1111/cbdd.12902
BindingDB Entry DOI: 10.7270/Q24M93CN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%