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PubMed code 26585276

Compile data set for download or QSAR
Found 17 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


(Homo sapiens (Human))
BDBM50308520
PNG
(CHEMBL603622 | cyclophostin)
Show SMILES CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12|
Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15-/m1/s1
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140n/an/an/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Irreversible inhibition of AChE (unknown origin)


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Musca domestica)
BDBM50308520
PNG
(CHEMBL603622 | cyclophostin)
Show SMILES CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12|
Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15-/m1/s1
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n/an/a 0.760n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of housefly CSMA AChE


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50064426
PNG
(CHEMBL3401159)
Show SMILES [H][C@@]12COC(=O)C1=C(C)O[P@](=O)(OC)OC2 |r,t:7|
Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15+/m0/s1
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n/an/a 35n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 8


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308520
PNG
(CHEMBL603622 | cyclophostin)
Show SMILES CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12|
Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 8


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308520
PNG
(CHEMBL603622 | cyclophostin)
Show SMILES CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12|
Show InChI InChI=1S/C8H11O6P/c1-5-7-6(3-12-8(7)9)4-13-15(10,11-2)14-5/h6H,3-4H2,1-2H3/t6-,15-/m1/s1
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n/an/a 45n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin)


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50499370
PNG
(CHEMBL3736339)
Show SMILES COC(=O)C1=C(C)OP(=O)(OC)OCC1 |c:4|
Show InChI InChI=1S/C8H13O6P/c1-6-7(8(9)11-2)4-5-13-15(10,12-3)14-6/h4-5H2,1-3H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 8


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50499370
PNG
(CHEMBL3736339)
Show SMILES COC(=O)C1=C(C)OP(=O)(OC)OCC1 |c:4|
Show InChI InChI=1S/C8H13O6P/c1-6-7(8(9)11-2)4-5-13-15(10,12-3)14-6/h4-5H2,1-3H3
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n/an/a 1.04E+3n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 6


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50241989
PNG
(CHEMBL2179375)
Show SMILES [H][C@@]12COC(=O)C1=C(C)O[P@@](=O)(CC2)OC |r,t:7|
Show InChI InChI=1S/C9H13O5P/c1-6-8-7(5-13-9(8)10)3-4-15(11,12-2)14-6/h7H,3-5H2,1-2H3/t7-,15-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 8


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50499368
PNG
(CHEMBL3735606)
Show SMILES COP1(=O)OCCC(C(=O)OC(C)(C)C)=C(C)O1 |t:14|
Show InChI InChI=1S/C11H19O6P/c1-8-9(10(12)16-11(2,3)4)6-7-15-18(13,14-5)17-8/h6-7H2,1-5H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 8


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50499368
PNG
(CHEMBL3735606)
Show SMILES COP1(=O)OCCC(C(=O)OC(C)(C)C)=C(C)O1 |t:14|
Show InChI InChI=1S/C11H19O6P/c1-8-9(10(12)16-11(2,3)4)6-7-15-18(13,14-5)17-8/h6-7H2,1-5H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 6


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50499367
PNG
(CHEMBL3735042)
Show SMILES CCOP1(=O)CCCC(C(=O)OC)=C(C)O1 |t:12|
Show InChI InChI=1S/C10H17O5P/c1-4-14-16(12)7-5-6-9(8(2)15-16)10(11)13-3/h4-7H2,1-3H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 8


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50499367
PNG
(CHEMBL3735042)
Show SMILES CCOP1(=O)CCCC(C(=O)OC)=C(C)O1 |t:12|
Show InChI InChI=1S/C10H17O5P/c1-4-14-16(12)7-5-6-9(8(2)15-16)10(11)13-3/h4-7H2,1-3H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 6


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308515
PNG
(2-Methoxy-7-methyl-2-oxo-2,3,4,5-tetrahydro-2lambd...)
Show SMILES COC(=O)C1=C(C)OP(=O)(CCC1)OC |c:4|
Show InChI InChI=1S/C9H15O5P/c1-7-8(9(10)12-2)5-4-6-15(11,13-3)14-7/h4-6H2,1-3H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 8


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308515
PNG
(2-Methoxy-7-methyl-2-oxo-2,3,4,5-tetrahydro-2lambd...)
Show SMILES COC(=O)C1=C(C)OP(=O)(CCC1)OC |c:4|
Show InChI InChI=1S/C9H15O5P/c1-7-8(9(10)12-2)5-4-6-15(11,13-3)14-7/h4-6H2,1-3H3
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n/an/a 2.60E+4n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 6


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50241988
PNG
(CHEMBL592433)
Show SMILES [H][C@]12COC(=O)C1=C(C)O[P@@](=O)(CC2)OC |r,t:7|
Show InChI InChI=1S/C9H13O5P/c1-6-8-7(5-13-9(8)10)3-4-15(11,12-2)14-6/h7H,3-5H2,1-2H3/t7-,15+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 8


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50499369
PNG
(CHEMBL3734787)
Show SMILES CCOP1(=O)OC(C)=C(CCC1(F)F)C(=O)OC |c:7|
Show InChI InChI=1S/C10H15F2O5P/c1-4-16-18(14)10(11,12)6-5-8(7(2)17-18)9(13)15-3/h4-6H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 6


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50499369
PNG
(CHEMBL3734787)
Show SMILES CCOP1(=O)OC(C)=C(CCC1(F)F)C(=O)OC |c:7|
Show InChI InChI=1S/C10H15F2O5P/c1-4-16-18(14)10(11,12)6-5-8(7(2)17-18)9(13)15-3/h4-6H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Missouri-St. Louis

Curated by ChEMBL


Assay Description
Inhibition of human AChE at pH 8


Bioorg Med Chem 23: 7529-34 (2015)


Article DOI: 10.1016/j.bmc.2015.10.044
BindingDB Entry DOI: 10.7270/Q2N58QCW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%