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PubMed code 25257911

Compile data set for download or QSAR
Found 33 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
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 20n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028572
PNG
(CHEMBL3338952)
Show SMILES Oc1ccc(OCc2nn3c(nnc3s2)-c2cccnc2)cc1
Show InChI InChI=1S/C15H11N5O2S/c21-11-3-5-12(6-4-11)22-9-13-19-20-14(17-18-15(20)23-13)10-2-1-7-16-8-10/h1-8,21H,9H2
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n/an/a 585n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028612
PNG
(CHEMBL1466313)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cccnc1
Show InChI InChI=1S/C16H13N5OS/c1-22-13-6-4-11(5-7-13)14-10-23-16-19-18-15(21(16)20-14)12-3-2-8-17-9-12/h2-9H,10H2,1H3
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n/an/a 781n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028606
PNG
(CHEMBL3338962)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cccnc1
Show InChI InChI=1S/C15H10N6O2S/c22-21(23)12-5-3-10(4-6-12)13-9-24-15-18-17-14(20(15)19-13)11-2-1-7-16-8-11/h1-8H,9H2
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n/an/a 1.09E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028573
PNG
(CHEMBL3338951)
Show SMILES Oc1ccccc1OCc1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C15H11N5O2S/c21-11-5-1-2-6-12(11)22-9-13-19-20-14(17-18-15(20)23-13)10-4-3-7-16-8-10/h1-8,21H,9H2
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n/an/a 3.02E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50028572
PNG
(CHEMBL3338952)
Show SMILES Oc1ccc(OCc2nn3c(nnc3s2)-c2cccnc2)cc1
Show InChI InChI=1S/C15H11N5O2S/c21-11-3-5-12(6-4-11)22-9-13-19-20-14(17-18-15(20)23-13)10-2-1-7-16-8-10/h1-8,21H,9H2
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n/an/a 3.09E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028570
PNG
(CHEMBL3338954)
Show SMILES Cc1ccc(OCc2nn3c(nnc3s2)-c2cccnc2)cc1
Show InChI InChI=1S/C16H13N5OS/c1-11-4-6-13(7-5-11)22-10-14-20-21-15(18-19-16(21)23-14)12-3-2-8-17-9-12/h2-9H,10H2,1H3
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n/an/a 4.76E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028611
PNG
(CHEMBL3338958)
Show SMILES Fc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cccnc1
Show InChI InChI=1S/C15H10FN5S/c16-12-5-3-10(4-6-12)13-9-22-15-19-18-14(21(15)20-13)11-2-1-7-17-8-11/h1-8H,9H2
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n/an/a 4.92E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028594
PNG
(CHEMBL1588892)
Show SMILES c1coc(c1)-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C12H7N5OS/c1-3-8(7-13-5-1)10-14-15-12-17(10)16-11(19-12)9-4-2-6-18-9/h1-7H
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n/an/a 6.03E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
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 7.23E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028608
PNG
(CHEMBL3338957)
Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cccnc1
Show InChI InChI=1S/C15H10ClN5S/c16-12-5-3-10(4-6-12)13-9-22-15-19-18-14(21(15)20-13)11-2-1-7-17-8-11/h1-8H,9H2
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n/an/a 9.82E+3n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028595
PNG
(CHEMBL3338945)
Show SMILES Fc1ccc(cc1Cl)-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C14H7ClFN5S/c15-10-6-8(3-4-11(10)16)13-20-21-12(18-19-14(21)22-13)9-2-1-5-17-7-9/h1-7H
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n/an/a 1.03E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50028570
PNG
(CHEMBL3338954)
Show SMILES Cc1ccc(OCc2nn3c(nnc3s2)-c2cccnc2)cc1
Show InChI InChI=1S/C16H13N5OS/c1-11-4-6-13(7-5-11)22-10-14-20-21-15(18-19-16(21)23-14)12-3-2-8-17-9-12/h2-9H,10H2,1H3
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n/an/a 1.13E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028582
PNG
(CHEMBL3338949)
Show SMILES c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C12H8N6S/c1-3-8(7-13-5-1)10-15-16-12-18(10)17-11(19-12)9-4-2-6-14-9/h1-7,14H
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n/an/a 1.37E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50028582
PNG
(CHEMBL3338949)
Show SMILES c1c[nH]c(c1)-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C12H8N6S/c1-3-8(7-13-5-1)10-15-16-12-18(10)17-11(19-12)9-4-2-6-14-9/h1-7,14H
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n/an/a 1.37E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50028608
PNG
(CHEMBL3338957)
Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cccnc1
Show InChI InChI=1S/C15H10ClN5S/c16-12-5-3-10(4-6-12)13-9-22-15-19-18-14(21(15)20-13)11-2-1-7-17-8-11/h1-8H,9H2
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n/an/a 1.51E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028609
PNG
(CHEMBL3338961)
Show SMILES C1Sc2nnc(-c3cccnc3)n2N=C1c1cccc2ccccc12
Show InChI InChI=1S/C19H13N5S/c1-2-8-15-13(5-1)6-3-9-16(15)17-12-25-19-22-21-18(24(19)23-17)14-7-4-10-20-11-14/h1-11H,12H2
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n/an/a 1.59E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50022775
PNG
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
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n/an/a 1.63E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50028606
PNG
(CHEMBL3338962)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cccnc1
Show InChI InChI=1S/C15H10N6O2S/c22-21(23)12-5-3-10(4-6-12)13-9-24-15-18-17-14(20(15)19-13)11-2-1-7-16-8-11/h1-8H,9H2
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n/an/a 1.83E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028607
PNG
(CHEMBL3338960)
Show SMILES C1Sc2nnc(-c3cccnc3)n2N=C1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H15N5S/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)19-14-27-21-24-23-20(26(21)25-19)18-7-4-12-22-13-18/h1-13H,14H2
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n/an/a 1.89E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50028594
PNG
(CHEMBL1588892)
Show SMILES c1coc(c1)-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C12H7N5OS/c1-3-8(7-13-5-1)10-14-15-12-17(10)16-11(19-12)9-4-2-6-18-9/h1-7H
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n/an/a 2.12E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028610
PNG
(CHEMBL3338959)
Show SMILES Cc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cccnc1
Show InChI InChI=1S/C16H13N5S/c1-11-4-6-12(7-5-11)14-10-22-16-19-18-15(21(16)20-14)13-3-2-8-17-9-13/h2-9H,10H2,1H3
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n/an/a 2.54E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50022775
PNG
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
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n/an/a 2.83E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50028573
PNG
(CHEMBL3338951)
Show SMILES Oc1ccccc1OCc1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C15H11N5O2S/c21-11-5-1-2-6-12(11)22-9-13-19-20-14(17-18-15(20)23-13)10-4-3-7-16-8-10/h1-8,21H,9H2
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n/an/a 3.55E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028596
PNG
(CHEMBL3338944)
Show SMILES Fc1cc(Cl)ccc1-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C14H7ClFN5S/c15-9-3-4-10(11(16)6-9)13-20-21-12(18-19-14(21)22-13)8-2-1-5-17-7-8/h1-7H
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n/an/a 3.74E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50028593
PNG
(CHEMBL3338947)
Show SMILES Cc1occc1-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C13H9N5OS/c1-8-10(4-6-19-8)12-17-18-11(15-16-13(18)20-12)9-3-2-5-14-7-9/h2-7H,1H3
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n/an/a 3.77E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50028597
PNG
(CHEMBL3338963)
Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1cccnc1
Show InChI InChI=1S/C15H9Cl2N5S/c16-11-4-3-9(6-12(11)17)13-8-23-15-20-19-14(22(15)21-13)10-2-1-5-18-7-10/h1-7H,8H2
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n/an/a 3.85E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50028607
PNG
(CHEMBL3338960)
Show SMILES C1Sc2nnc(-c3cccnc3)n2N=C1c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H15N5S/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)19-14-27-21-24-23-20(26(21)25-19)18-7-4-12-22-13-18/h1-13H,14H2
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n/an/a 3.97E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028569
PNG
(CHEMBL3338955)
Show SMILES COc1ccc(OCc2nn3c(nnc3s2)-c2cccnc2)cc1
Show InChI InChI=1S/C16H13N5O2S/c1-22-12-4-6-13(7-5-12)23-10-14-20-21-15(18-19-16(21)24-14)11-3-2-8-17-9-11/h2-9H,10H2,1H3
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n/an/a 5.58E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028593
PNG
(CHEMBL3338947)
Show SMILES Cc1occc1-c1nn2c(nnc2s1)-c1cccnc1
Show InChI InChI=1S/C13H9N5OS/c1-8-10(4-6-19-8)12-17-18-11(15-16-13(18)20-12)9-3-2-5-14-7-9/h2-7H,1H3
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PubMed
n/an/a 5.86E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028597
PNG
(CHEMBL3338963)
Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1cccnc1
Show InChI InChI=1S/C15H9Cl2N5S/c16-11-4-3-9(6-12(11)17)13-8-23-15-20-19-14(22(15)21-13)10-2-1-5-18-7-10/h1-7H,8H2
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n/an/a 6.48E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028575
PNG
(CHEMBL3338950)
Show SMILES CCOc1ccc(Cc2nn3c(nnc3s2)-c2cccnc2)cc1
Show InChI InChI=1S/C17H15N5OS/c1-2-23-14-7-5-12(6-8-14)10-15-21-22-16(19-20-17(22)24-15)13-4-3-9-18-11-13/h3-9,11H,2,10H2,1H3
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n/an/a 7.07E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50028589
PNG
(CHEMBL3338948)
Show SMILES Fc1ccc(Cc2nn3c(nnc3s2)-c2cccnc2)cc1
Show InChI InChI=1S/C15H10FN5S/c16-12-5-3-10(4-6-12)8-13-20-21-14(18-19-15(21)22-13)11-2-1-7-17-9-11/h1-7,9H,8H2
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n/an/a 7.99E+4n/an/an/an/an/an/a



Quaid-i-Azam University

Curated by ChEMBL


Assay Description
Inhibition of human BChE by Ellman's method


Bioorg Med Chem 22: 6163-73 (2014)


Article DOI: 10.1016/j.bmc.2014.08.026
BindingDB Entry DOI: 10.7270/Q2JQ12M3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%