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Compile Data Set for Download or QSAR

Found 17 hits with Last Name = 'acarçevik' and Initial = 'u'   
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))
BDBM50200768
PNG
(CHEMBL3893120)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2cc1OC
Show InChI InChI=1S/C19H29N5O3S/c1-22(2)5-6-23-7-9-24(10-8-23)13-18(25)21-19-20-14-11-15(26-3)16(27-4)12-17(14)28-19/h11-12H,5-10,13H2,1-4H3,(H,20,21,25)
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110n/an/an/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Li...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200752
PNG
(CHEMBL3947863)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(CCCN(C)C)CC3)sc2cc1OC
Show InChI InChI=1S/C20H31N5O3S/c1-23(2)6-5-7-24-8-10-25(11-9-24)14-19(26)22-20-21-15-12-16(27-3)17(28-4)13-18(15)29-20/h12-13H,5-11,14H2,1-4H3,(H,21,22,26)
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250n/an/an/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Li...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
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 29n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200768
PNG
(CHEMBL3893120)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2cc1OC
Show InChI InChI=1S/C19H29N5O3S/c1-22(2)5-6-23-7-9-24(10-8-23)13-18(25)21-19-20-14-11-15(26-3)16(27-4)12-17(14)28-19/h11-12H,5-10,13H2,1-4H3,(H,20,21,25)
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n/an/a 46n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200752
PNG
(CHEMBL3947863)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(CCCN(C)C)CC3)sc2cc1OC
Show InChI InChI=1S/C20H31N5O3S/c1-23(2)6-5-7-24-8-10-25(11-9-24)14-19(26)22-20-21-15-12-16(27-3)17(28-4)13-18(15)29-20/h12-13H,5-11,14H2,1-4H3,(H,21,22,26)
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n/an/a 58n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200773
PNG
(CHEMBL3899539)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2c1
Show InChI InChI=1S/C18H27N5O2S/c1-21(2)6-7-22-8-10-23(11-9-22)13-17(24)20-18-19-15-5-4-14(25-3)12-16(15)26-18/h4-5,12H,6-11,13H2,1-3H3,(H,19,20,24)
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n/an/a 95n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200775
PNG
(CHEMBL3927564)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(CCCN(C)C)CC3)sc2c1
Show InChI InChI=1S/C19H29N5O2S/c1-22(2)7-4-8-23-9-11-24(12-10-23)14-18(25)21-19-20-16-6-5-15(26-3)13-17(16)27-19/h5-6,13H,4,7-12,14H2,1-3H3,(H,20,21,25)
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n/an/a 117n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200774
PNG
(CHEMBL3890574)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)sc2cc1OC
Show InChI InChI=1S/C22H25ClN4O3S/c1-29-18-11-17-20(12-19(18)30-2)31-22(24-17)25-21(28)14-27-9-7-26(8-10-27)13-15-3-5-16(23)6-4-15/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,25,28)
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n/an/a 130n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200754
PNG
(CHEMBL3944106)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(Cc4ccc(F)cc4)CC3)sc2cc1OC
Show InChI InChI=1S/C22H25FN4O3S/c1-29-18-11-17-20(12-19(18)30-2)31-22(24-17)25-21(28)14-27-9-7-26(8-10-27)13-15-3-5-16(23)6-4-15/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,25,28)
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n/an/a 175n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200770
PNG
(CHEMBL3921124)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)sc2cc1OC
Show InChI InChI=1S/C23H25F3N4O3S/c1-32-18-11-17-20(12-19(18)33-2)34-22(27-17)28-21(31)14-30-9-7-29(8-10-30)13-15-3-5-16(6-4-15)23(24,25)26/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,28,31)
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n/an/a 198n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200776
PNG
(CHEMBL3930064)
Show SMILES COc1cc2nc(NC(=O)CN3CCN(Cc4ccc(C)cc4)CC3)sc2cc1OC
Show InChI InChI=1S/C23H28N4O3S/c1-16-4-6-17(7-5-16)14-26-8-10-27(11-9-26)15-22(28)25-23-24-18-12-19(29-2)20(30-3)13-21(18)31-23/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,25,28)
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n/an/a 215n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200771
PNG
(CHEMBL3954151)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)sc2c1
Show InChI InChI=1S/C21H23ClN4O2S/c1-28-17-6-7-18-19(12-17)29-21(23-18)24-20(27)14-26-10-8-25(9-11-26)13-15-2-4-16(22)5-3-15/h2-7,12H,8-11,13-14H2,1H3,(H,23,24,27)
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n/an/a 220n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200753
PNG
(CHEMBL3917538)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(Cc4ccc(F)cc4)CC3)sc2c1
Show InChI InChI=1S/C21H23FN4O2S/c1-28-17-6-7-18-19(12-17)29-21(23-18)24-20(27)14-26-10-8-25(9-11-26)13-15-2-4-16(22)5-3-15/h2-7,12H,8-11,13-14H2,1H3,(H,23,24,27)
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n/an/a 244n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200767
PNG
(CHEMBL3902092)
Show SMILES COc1ccc(CN2CCN(CC(=O)Nc3nc4cc(OC)c(OC)cc4s3)CC2)cc1
Show InChI InChI=1S/C23H28N4O4S/c1-29-17-6-4-16(5-7-17)14-26-8-10-27(11-9-26)15-22(28)25-23-24-18-12-19(30-2)20(31-3)13-21(18)32-23/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,25,28)
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n/an/a 252n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200751
PNG
(CHEMBL3895081)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)sc2c1
Show InChI InChI=1S/C22H23F3N4O2S/c1-31-17-6-7-18-19(12-17)32-21(26-18)27-20(30)14-29-10-8-28(9-11-29)13-15-2-4-16(5-3-15)22(23,24)25/h2-7,12H,8-11,13-14H2,1H3,(H,26,27,30)
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n/an/a 274n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200772
PNG
(CHEMBL3945424)
Show SMILES COc1ccc2nc(NC(=O)CN3CCN(Cc4ccc(C)cc4)CC3)sc2c1
Show InChI InChI=1S/C22H26N4O2S/c1-16-3-5-17(6-4-16)14-25-9-11-26(12-10-25)15-21(27)24-22-23-19-8-7-18(28-2)13-20(19)29-22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,24,27)
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n/an/a 326n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50200769
PNG
(CHEMBL3908591)
Show SMILES COc1ccc(CN2CCN(CC(=O)Nc3nc4ccc(OC)cc4s3)CC2)cc1
Show InChI InChI=1S/C22H26N4O3S/c1-28-17-5-3-16(4-6-17)14-25-9-11-26(12-10-25)15-21(27)24-22-23-19-8-7-18(29-2)13-20(19)30-22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,24,27)
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n/an/a 397n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by acetylthiocholine iodide substrate addition measured for 5 mins by Ellman's spec...


Bioorg Med Chem Lett 26: 5387-5394 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.041
BindingDB Entry DOI: 10.7270/Q21838GD
More data for this
Ligand-Target Pair