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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = '驆taskin' and Initial = 'n'   
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
Cholinesterases


(Homo sapiens (Human))
BDBM152509
PNG
((4-Bromo-2,5-dihydroxyphenyl)(4-hydroxyphenyl)meth...)
Show SMILES Oc1ccc(cc1)C(=O)c1cc(O)c(Br)cc1O
Show InChI InChI=1S/C13H9BrO4/c14-10-6-11(16)9(5-12(10)17)13(18)7-1-3-8(15)4-2-7/h1-6,15-17H
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2.78n/a 4.58n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM152510
PNG
((4-Bromo-2,5-dihydroxyphenyl)(phenyl)methanone (23...)
Show SMILES Oc1cc(C(=O)c2ccccc2)c(O)cc1Br
Show InChI InChI=1S/C13H9BrO3/c14-10-7-11(15)9(6-12(10)16)13(17)8-4-2-1-3-5-8/h1-7,15-16H
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3.24n/a 4.88n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM152500
PNG
((2-bromo-4-methoxyphenyl)(3,4-dimethoxyphenyl)meth...)
Show SMILES COc1ccc(C(=O)c2ccc(OC)c(OC)c2)c(Br)c1
Show InChI InChI=1S/C16H15BrO4/c1-19-11-5-6-12(13(17)9-11)16(18)10-4-7-14(20-2)15(8-10)21-3/h4-9H,1-3H3
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3.53n/a 4.41n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM152506
PNG
((5-bromo-2,4-dimethoxyphenyl)(4-methoxyphenyl)meth...)
Show SMILES COc1ccc(cc1)C(=O)c1cc(Br)c(OC)cc1OC
Show InChI InChI=1S/C16H15BrO4/c1-19-11-6-4-10(5-7-11)16(18)12-8-13(17)15(21-3)9-14(12)20-2/h4-9H,1-3H3
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3.65n/a 4.05n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM152508
PNG
((2-Bromo-4-hydroxyphenyl)(2,3-dihydroxyphenyl)meth...)
Show SMILES Oc1ccc(C(=O)c2cccc(O)c2O)c(Br)c1
Show InChI InChI=1S/C13H9BrO4/c14-10-6-7(15)4-5-8(10)12(17)9-2-1-3-11(16)13(9)18/h1-6,15-16,18H
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3.75n/a 4.84n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM152503
PNG
((4-Bromo-2,5-dimethoxyphenyl)(4-methoxyphenyl)meth...)
Show SMILES COc1ccc(cc1)C(=O)c1cc(OC)c(Br)cc1OC
Show InChI InChI=1S/C16H15BrO4/c1-19-11-6-4-10(5-7-11)16(18)12-8-15(21-3)13(17)9-14(12)20-2/h4-9H,1-3H3
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3.77n/a 4.22n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM152507
PNG
((2-bromo-4-hydroxyphenyl)(3,4-dihydroxyphenyl)meth...)
Show SMILES Oc1ccc(C(=O)c2ccc(O)c(O)c2)c(Br)c1
Show InChI InChI=1S/C13H9BrO4/c14-10-6-8(15)2-3-9(10)13(18)7-1-4-11(16)12(17)5-7/h1-6,15-17H
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4.06n/a 4.71n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM152502
PNG
(2-bromo-1,4-dimethoxybenzene (14))
Show SMILES COc1ccc(OC)c(Br)c1
Show InChI InChI=1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3
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4.25n/a 7.21n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM152501
PNG
((2-Bromo-4-methoxyphenyl)(2,3-dimethoxyphenyl)meth...)
Show SMILES COc1ccc(C(=O)c2cccc(OC)c2OC)c(Br)c1
Show InChI InChI=1S/C16H15BrO4/c1-19-10-7-8-11(13(17)9-10)15(18)12-5-4-6-14(20-2)16(12)21-3/h4-9H,1-3H3
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4.34n/a 4.20n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM152504
PNG
((4-Bromo-2,5-dimethoxyphenyl)(phenyl)methanone (16...)
Show SMILES COc1cc(C(=O)c2ccccc2)c(OC)cc1Br
Show InChI InChI=1S/C15H13BrO3/c1-18-13-9-12(16)14(19-2)8-11(13)15(17)10-6-4-3-5-7-10/h3-9H,1-2H3
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5.28n/a 4.68n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM152511
PNG
((5-Bromo-2,4-dihydroxyphenyl)(4-hydroxyphenyl)meth...)
Show SMILES Oc1ccc(cc1)C(=O)c1cc(Br)c(O)cc1O
Show InChI InChI=1S/C13H9BrO4/c14-10-5-9(11(16)6-12(10)17)13(18)7-1-3-8(15)4-2-7/h1-6,15-17H
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5.72n/a 4.81n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM152505
PNG
((2,4-dimethoxyphenyl)(4-methoxyphenyl)methanone (1...)
Show SMILES COc1ccc(cc1)C(=O)c1ccc(OC)cc1OC
Show InChI InChI=1S/C16H16O4/c1-18-12-6-4-11(5-7-12)16(17)14-9-8-13(19-2)10-15(14)20-3/h4-10H,1-3H3
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5.88n/a 5.25n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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Patents

Article
PubMed
7.64n/a 7.53n/an/an/an/a8.0n/a



Ataturk University



Assay Description
AChI and 5,5'-dithio-bis(2-nitro-benzoic)acid (DTNB) were used as substrate for this enzymatic reaction. To this end, 100 無 of Tris/HCl buffer (...


Bioorg Chem 60: 49-57 (2015)


Article DOI: 10.1016/j.bioorg.2015.04.006
BindingDB Entry DOI: 10.7270/Q2930RW6
More data for this
Ligand-Target Pair