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Compile Data Set for Download or QSAR

Found 94 hits from Eastern Mediterranean University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (human))
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 8n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
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 700n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024874
PNG
(CHEMBL3335066)
Show SMILES O=c1oc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C27H28N2O3/c30-27-25-10-5-4-9-23(25)24-12-11-22(19-26(24)32-27)31-18-6-13-28-14-16-29(17-15-28)20-21-7-2-1-3-8-21/h1-5,7-12,19H,6,13-18,20H2
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n/an/a 800n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024881
PNG
(CHEMBL3335060)
Show SMILES O=c1oc2cc(OCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C26H26N2O3/c29-26-24-9-5-4-8-22(24)23-11-10-21(18-25(23)31-26)30-17-16-27-12-14-28(15-13-27)19-20-6-2-1-3-7-20/h1-11,18H,12-17,19H2
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n/an/a 900n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024893
PNG
(CHEMBL3335048)
Show SMILES O=c1oc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C27H32N2O3/c30-27-25-10-5-4-9-23(25)24-12-11-22(19-26(24)32-27)31-18-6-13-28-14-16-29(17-15-28)20-21-7-2-1-3-8-21/h1-3,7-8,11-12,19H,4-6,9-10,13-18,20H2
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n/an/a 900n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024891
PNG
(CHEMBL3335050)
Show SMILES CN(CCCCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C25H29NO3/c1-26(18-19-9-3-2-4-10-19)15-7-8-16-28-20-13-14-22-21-11-5-6-12-23(21)25(27)29-24(22)17-20/h2-4,9-10,13-14,17H,5-8,11-12,15-16,18H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024872
PNG
(CHEMBL3335068)
Show SMILES CN(CCCCOc1ccc2c(c1)oc(=O)c1ccccc21)Cc1ccccc1
Show InChI InChI=1S/C25H25NO3/c1-26(18-19-9-3-2-4-10-19)15-7-8-16-28-20-13-14-22-21-11-5-6-12-23(21)25(27)29-24(22)17-20/h2-6,9-14,17H,7-8,15-16,18H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024900
PNG
(CHEMBL3335029)
Show SMILES O=c1oc2cc(OCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C26H30N2O3/c29-26-24-9-5-4-8-22(24)23-11-10-21(18-25(23)31-26)30-17-16-27-12-14-28(15-13-27)19-20-6-2-1-3-7-20/h1-3,6-7,10-11,18H,4-5,8-9,12-17,19H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024890
PNG
(CHEMBL3335051)
Show SMILES COc1cccc(CN(C)CCCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C26H31NO4/c1-27(18-19-8-7-9-20(16-19)29-2)14-5-6-15-30-21-12-13-23-22-10-3-4-11-24(22)26(28)31-25(23)17-21/h7-9,12-13,16-17H,3-6,10-11,14-15,18H2,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024898
PNG
(CHEMBL3335031)
Show SMILES CN(CCCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C24H27NO3/c1-25(17-18-8-3-2-4-9-18)14-7-15-27-19-12-13-21-20-10-5-6-11-22(20)24(26)28-23(21)16-19/h2-4,8-9,12-13,16H,5-7,10-11,14-15,17H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024897
PNG
(CHEMBL3335032)
Show SMILES COc1cccc(CN(C)CCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C25H29NO4/c1-26(17-18-7-5-8-19(15-18)28-2)13-6-14-29-20-11-12-22-21-9-3-4-10-23(21)25(27)30-24(22)16-20/h5,7-8,11-12,15-16H,3-4,6,9-10,13-14,17H2,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024953
PNG
(CHEMBL3335025)
Show SMILES CN(CCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO3/c1-24(16-17-7-3-2-4-8-17)13-14-26-18-11-12-20-19-9-5-6-10-21(19)23(25)27-22(20)15-18/h2-4,7-8,11-12,15H,5-6,9-10,13-14,16H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024862
PNG
(CHEMBL3335019)
Show SMILES Cl.COc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
Show InChI InChI=1S/C18H19NO3.ClH/c1-11(19(2)3)12-9-15(21-4)17-13-7-5-6-8-14(13)18(20)22-16(17)10-12;/h5-11H,1-4H3;1H
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n/an/a 2.80E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024893
PNG
(CHEMBL3335048)
Show SMILES O=c1oc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C27H32N2O3/c30-27-25-10-5-4-9-23(25)24-12-11-22(19-26(24)32-27)31-18-6-13-28-14-16-29(17-15-28)20-21-7-2-1-3-8-21/h1-3,7-8,11-12,19H,4-6,9-10,13-18,20H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024874
PNG
(CHEMBL3335066)
Show SMILES O=c1oc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C27H28N2O3/c30-27-25-10-5-4-9-23(25)24-12-11-22(19-26(24)32-27)31-18-6-13-28-14-16-29(17-15-28)20-21-7-2-1-3-8-21/h1-5,7-12,19H,6,13-18,20H2
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n/an/a 3.70E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024876
PNG
(CHEMBL3335064)
Show SMILES O=c1oc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C28H29NO3/c30-28-26-10-5-4-9-24(26)25-12-11-23(20-27(25)32-28)31-18-6-15-29-16-13-22(14-17-29)19-21-7-2-1-3-8-21/h1-5,7-12,20,22H,6,13-19H2
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n/an/a 4.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024957
PNG
(CHEMBL3335021)
Show SMILES Cl.CC(N(C)C)c1cc(O)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO3.ClH/c1-10(18(2)3)11-8-14(19)16-12-6-4-5-7-13(12)17(20)21-15(16)9-11;/h4-10,19H,1-3H3;1H
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n/an/a 4.20E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024896
PNG
(CHEMBL3335046)
Show SMILES O=c1oc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C28H33NO3/c30-28-26-10-5-4-9-24(26)25-12-11-23(20-27(25)32-28)31-18-6-15-29-16-13-22(14-17-29)19-21-7-2-1-3-8-21/h1-3,7-8,11-12,20,22H,4-6,9-10,13-19H2
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n/an/a 4.30E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024895
PNG
(CHEMBL3335047)
Show SMILES COc1cccc(CC2CCN(CCCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C29H35NO4/c1-32-23-7-4-6-22(19-23)18-21-12-15-30(16-13-21)14-5-17-33-24-10-11-26-25-8-2-3-9-27(25)29(31)34-28(26)20-24/h4,6-7,10-11,19-21H,2-3,5,8-9,12-18H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024933
PNG
(CHEMBL3335026)
Show SMILES COc1cccc(CN(C)CCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C24H27NO4/c1-25(16-17-6-5-7-18(14-17)27-2)12-13-28-19-10-11-21-20-8-3-4-9-22(20)24(26)29-23(21)15-19/h5-7,10-11,14-15H,3-4,8-9,12-13,16H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024892
PNG
(CHEMBL3335049)
Show SMILES COc1cccc(CN2CCN(CCCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C28H34N2O4/c1-32-22-7-4-6-21(18-22)20-30-15-13-29(14-16-30)12-5-17-33-23-10-11-25-24-8-2-3-9-26(24)28(31)34-27(25)19-23/h4,6-7,10-11,18-19H,2-3,5,8-9,12-17,20H2,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024887
PNG
(CHEMBL3335054)
Show SMILES O=c1oc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C28H34N2O3/c31-28-26-11-5-4-10-24(26)25-13-12-23(20-27(25)33-28)32-19-7-6-14-29-15-17-30(18-16-29)21-22-8-2-1-3-9-22/h1-3,8-9,12-13,20H,4-7,10-11,14-19,21H2
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n/an/a 6.40E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024872
PNG
(CHEMBL3335068)
Show SMILES CN(CCCCOc1ccc2c(c1)oc(=O)c1ccccc21)Cc1ccccc1
Show InChI InChI=1S/C25H25NO3/c1-26(18-19-9-3-2-4-10-19)15-7-8-16-28-20-13-14-22-21-11-5-6-12-23(21)25(27)29-24(22)17-20/h2-6,9-14,17H,7-8,15-16,18H2,1H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024885
PNG
(CHEMBL3335056)
Show SMILES CN(CCOc1ccc2c(c1)oc(=O)c1ccccc21)Cc1ccccc1
Show InChI InChI=1S/C23H21NO3/c1-24(16-17-7-3-2-4-8-17)13-14-26-18-11-12-20-19-9-5-6-10-21(19)23(25)27-22(20)15-18/h2-12,15H,13-14,16H2,1H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
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 7.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024899
PNG
(CHEMBL3335030)
Show SMILES COc1cccc(CN2CCN(CCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C27H32N2O4/c1-31-21-6-4-5-20(17-21)19-29-13-11-28(12-14-29)15-16-32-22-9-10-24-23-7-2-3-8-25(23)27(30)33-26(24)18-22/h4-6,9-10,17-18H,2-3,7-8,11-16,19H2,1H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024864
PNG
(CHEMBL3335018)
Show SMILES Cl.C[C@H](N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO2.ClH/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12;/h4-11H,1-3H3;1H/t11-;/m0./s1
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n/an/a 7.90E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024924
PNG
(CHEMBL3335027)
Show SMILES O=c1oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C27H31NO3/c29-27-25-9-5-4-8-23(25)24-11-10-22(19-26(24)31-27)30-17-16-28-14-12-21(13-15-28)18-20-6-2-1-3-7-20/h1-3,6-7,10-11,19,21H,4-5,8-9,12-18H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024868
PNG
(CHEMBL3335071)
Show SMILES O=c1oc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C28H30N2O3/c31-28-26-11-5-4-10-24(26)25-13-12-23(20-27(25)33-28)32-19-7-6-14-29-15-17-30(18-16-29)21-22-8-2-1-3-9-22/h1-5,8-13,20H,6-7,14-19,21H2
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n/an/a 8.20E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024871
PNG
(CHEMBL3335069)
Show SMILES COc1cccc(CN(C)CCCCOc2ccc3c(c2)oc(=O)c2ccccc32)c1
Show InChI InChI=1S/C26H27NO4/c1-27(18-19-8-7-9-20(16-19)29-2)14-5-6-15-30-21-12-13-23-22-10-3-4-11-24(22)26(28)31-25(23)17-21/h3-4,7-13,16-17H,5-6,14-15,18H2,1-2H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024954
PNG
(CHEMBL3335024)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C21H24N2O4.ClH/c1-6-23(5)21(25)26-14-11-17(13(2)22(3)4)19-15-9-7-8-10-16(15)20(24)27-18(19)12-14;/h7-13H,6H2,1-5H3;1H
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n/an/a 8.50E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024879
PNG
(CHEMBL3335062)
Show SMILES CN(CCCOc1ccc2c(c1)oc(=O)c1ccccc21)Cc1ccccc1
Show InChI InChI=1S/C24H23NO3/c1-25(17-18-8-3-2-4-9-18)14-7-15-27-19-12-13-21-20-10-5-6-11-22(20)24(26)28-23(21)16-19/h2-6,8-13,16H,7,14-15,17H2,1H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024886
PNG
(CHEMBL3335055)
Show SMILES COc1cccc(CN2CCN(CCCCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C29H36N2O4/c1-33-23-8-6-7-22(19-23)21-31-16-14-30(15-17-31)13-4-5-18-34-24-11-12-26-25-9-2-3-10-27(25)29(32)35-28(26)20-24/h6-8,11-12,19-20H,2-5,9-10,13-18,21H2,1H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024889
PNG
(CHEMBL3335052)
Show SMILES O=c1oc2cc(OCCCCN3CCC(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C29H35NO3/c31-29-27-11-5-4-10-25(27)26-13-12-24(21-28(26)33-29)32-19-7-6-16-30-17-14-23(15-18-30)20-22-8-2-1-3-9-22/h1-3,8-9,12-13,21,23H,4-7,10-11,14-20H2
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n/an/a 9.20E+3n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024865
PNG
(CHEMBL3335017)
Show SMILES Cl.CC(N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO2.ClH/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12;/h4-11H,1-3H3;1H
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n/an/a 1.09E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024866
PNG
(CHEMBL151763)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)C(C)N(C)C
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024880
PNG
(CHEMBL3335061)
Show SMILES COc1cccc(CN2CCN(CCOc3ccc4c(c3)oc(=O)c3ccccc43)CC2)c1
Show InChI InChI=1S/C27H28N2O4/c1-31-21-6-4-5-20(17-21)19-29-13-11-28(12-14-29)15-16-32-22-9-10-24-23-7-2-3-8-25(23)27(30)33-26(24)18-22/h2-10,17-18H,11-16,19H2,1H3
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n/an/a 1.14E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024881
PNG
(CHEMBL3335060)
Show SMILES O=c1oc2cc(OCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C26H26N2O3/c29-26-24-9-5-4-8-22(24)23-11-10-21(18-25(23)31-26)30-17-16-27-12-14-28(15-13-27)19-20-6-2-1-3-7-20/h1-11,18H,12-17,19H2
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n/an/a 1.21E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024955
PNG
(CHEMBL3335023)
Show SMILES Cl.CCN(C)C(=O)Oc1cc(cc2oc(=O)c3ccccc3c12)C(C)N(C)C
Show InChI InChI=1S/C21H24N2O4.ClH/c1-6-23(5)21(25)27-18-12-14(13(2)22(3)4)11-17-19(18)15-9-7-8-10-16(15)20(24)26-17;/h7-13H,6H2,1-5H3;1H
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n/an/a 1.27E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024888
PNG
(CHEMBL3335053)
Show SMILES COc1cccc(CC2CCN(CCCCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1
Show InChI InChI=1S/C30H37NO4/c1-33-24-8-6-7-23(20-24)19-22-13-16-31(17-14-22)15-4-5-18-34-25-11-12-27-26-9-2-3-10-28(26)30(32)35-29(27)21-25/h6-8,11-12,20-22H,2-5,9-10,13-19H2,1H3
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n/an/a 1.37E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024885
PNG
(CHEMBL3335056)
Show SMILES CN(CCOc1ccc2c(c1)oc(=O)c1ccccc21)Cc1ccccc1
Show InChI InChI=1S/C23H21NO3/c1-24(16-17-7-3-2-4-8-17)13-14-26-18-11-12-20-19-9-5-6-10-21(19)23(25)27-22(20)15-18/h2-12,15H,13-14,16H2,1H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024870
PNG
(CHEMBL3334506)
Show SMILES O=c1oc2cc(OCCCCN3CCC(Cc4ccccc4)CC3)ccc2c2ccccc12
Show InChI InChI=1S/C29H31NO3/c31-29-27-11-5-4-10-25(27)26-13-12-24(21-28(26)33-29)32-19-7-6-16-30-17-14-23(15-18-30)20-22-8-2-1-3-9-22/h1-5,8-13,21,23H,6-7,14-20H2
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n/an/a 1.42E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024887
PNG
(CHEMBL3335054)
Show SMILES O=c1oc2cc(OCCCCN3CCN(Cc4ccccc4)CC3)ccc2c2CCCCc12
Show InChI InChI=1S/C28H34N2O3/c31-28-26-11-5-4-10-24(26)25-13-12-23(20-27(25)33-28)32-19-7-6-14-29-15-17-30(18-16-29)21-22-8-2-1-3-9-22/h1-3,8-9,12-13,20H,4-7,10-11,14-19,21H2
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n/an/a 1.46E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024879
PNG
(CHEMBL3335062)
Show SMILES CN(CCCOc1ccc2c(c1)oc(=O)c1ccccc21)Cc1ccccc1
Show InChI InChI=1S/C24H23NO3/c1-25(17-18-8-3-2-4-9-18)14-7-15-27-19-12-13-21-20-10-5-6-11-22(20)24(26)28-23(21)16-19/h2-6,8-13,16H,7,14-15,17H2,1H3
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n/an/a 1.49E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024861
PNG
(CHEMBL3335020)
Show SMILES Cl.COc1cc(C(C)N(C)C)c2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C18H19NO3.ClH/c1-11(19(2)3)15-9-12(21-4)10-16-17(15)13-7-5-6-8-14(13)18(20)22-16;/h5-11H,1-4H3;1H
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n/an/a 1.51E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024898
PNG
(CHEMBL3335031)
Show SMILES CN(CCCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1ccccc1
Show InChI InChI=1S/C24H27NO3/c1-25(17-18-8-3-2-4-9-18)14-7-15-27-19-12-13-21-20-10-5-6-11-22(20)24(26)28-23(21)16-19/h2-4,8-9,12-13,16H,5-7,10-11,14-15,17H2,1H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024864
PNG
(CHEMBL3335018)
Show SMILES Cl.C[C@H](N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO2.ClH/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12;/h4-11H,1-3H3;1H/t11-;/m0./s1
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n/an/a 1.62E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024871
PNG
(CHEMBL3335069)
Show SMILES COc1cccc(CN(C)CCCCOc2ccc3c(c2)oc(=O)c2ccccc32)c1
Show InChI InChI=1S/C26H27NO4/c1-27(18-19-8-7-9-20(16-19)29-2)14-5-6-15-30-21-12-13-23-22-10-3-4-11-24(22)26(28)31-25(23)17-21/h3-4,7-13,16-17H,5-6,14-15,18H2,1-2H3
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n/an/a 1.76E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50024865
PNG
(CHEMBL3335017)
Show SMILES Cl.CC(N(C)C)c1ccc2c(c1)oc(=O)c1ccccc21
Show InChI InChI=1S/C17H17NO2.ClH/c1-11(18(2)3)12-8-9-14-13-6-4-5-7-15(13)17(19)20-16(14)10-12;/h4-11H,1-3H3;1H
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n/an/a 1.79E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50024873
PNG
(CHEMBL3335067)
Show SMILES COc1cccc(CN2CCN(CCCOc3ccc4c(c3)oc(=O)c3ccccc43)CC2)c1
Show InChI InChI=1S/C28H30N2O4/c1-32-22-7-4-6-21(18-22)20-30-15-13-29(14-16-30)12-5-17-33-23-10-11-25-24-8-2-3-9-26(24)28(31)34-27(25)19-23/h2-4,6-11,18-19H,5,12-17,20H2,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Eastern Mediterranean University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method


Bioorg Med Chem 22: 5141-54 (2014)


Article DOI: 10.1016/j.bmc.2014.08.016
BindingDB Entry DOI: 10.7270/Q2WH2RKB
More data for this
Ligand-Target Pair
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