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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'chao' and Initial = 'ck'   
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))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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n/an/an/an/an/an/a 1.43E+3n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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n/an/an/an/an/an/a 633n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490823
PNG
(2-Bromoethyl 4-Nitrophenyl Methylphosphonate | CHE...)
Show SMILES CP(=O)(OCCBr)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11BrNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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n/an/an/an/an/an/a 1.35E+3n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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n/an/an/an/an/an/a 917n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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n/an/an/an/an/an/a 567n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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n/an/an/an/an/an/a 1.03E+3n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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n/an/an/an/an/an/a 200n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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n/an/an/an/an/an/a 1.25E+3n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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n/an/an/an/an/an/a 267n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490824
PNG
(CHEMBL2348369)
Show SMILES CP(=S)(OCCBr)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11BrNO4PS/c1-16(17,14-7-6-10)15-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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n/an/an/an/an/an/a 200n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50240416
PNG
(CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphat...)
Show SMILES CCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
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n/an/an/an/an/an/a 333n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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n/an/an/an/an/an/a 1.03E+3n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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n/an/an/an/an/an/a 233n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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n/an/an/an/an/an/a 1.02E+3n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of rat brain AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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n/an/an/an/an/an/a 983n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by concentration-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50490821
PNG
(2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHE...)
Show SMILES CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H13FNO5P/c1-2-18(15,16-8-7-11)17-10-5-3-9(4-6-10)12(13)14/h3-6H,2,7-8H2,1H3
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n/an/an/an/an/an/a 167n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490825
PNG
(CHEMBL2348368)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCCOP(C)(=O)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H18NO8PS/c1-13-3-9-16(10-4-13)27(21,22)24-12-11-23-26(2,20)25-15-7-5-14(6-8-15)17(18)19/h3-10H,11-12H2,1-2H3
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n/an/an/an/an/an/a 183n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50490822
PNG
(2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CH...)
Show SMILES CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C9H11FNO5P/c1-17(14,15-7-6-10)16-9-4-2-8(3-5-9)11(12)13/h2-5H,6-7H2,1H3
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n/an/an/an/an/an/a 417n/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by time-dependent inhibition assay


Bioorg Med Chem Lett 23: 2048-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.010
BindingDB Entry DOI: 10.7270/Q2VH5RSV
More data for this
Ligand-Target Pair