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PubMed code 26995529

Compile data set for download or QSAR
Found 14 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


(Equus caballus (Horse))
BDBM50162930
PNG
(CHEMBL3794413)
Show SMILES Oc1ccc(cc1)-c1cc2cccc(Cl)c2o1
Show InChI InChI=1S/C14H9ClO2/c15-12-3-1-2-10-8-13(17-14(10)12)9-4-6-11(16)7-5-9/h1-8,16H
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5.00E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine BChE using S-butyrylthiocholine chloride as substrate assessed as free enzyme by Lineweaver-Burk reciprocal plot meth...


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162930
PNG
(CHEMBL3794413)
Show SMILES Oc1ccc(cc1)-c1cc2cccc(Cl)c2o1
Show InChI InChI=1S/C14H9ClO2/c15-12-3-1-2-10-8-13(17-14(10)12)9-4-6-11(16)7-5-9/h1-8,16H
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8.74E+4n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine BChE using S-butyrylthiocholine chloride as substrate assessed as enzyme-substrate complex by Lineweaver-Burk recipro...


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
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 |r,c:12|
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 2.83E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162930
PNG
(CHEMBL3794413)
Show SMILES Oc1ccc(cc1)-c1cc2cccc(Cl)c2o1
Show InChI InChI=1S/C14H9ClO2/c15-12-3-1-2-10-8-13(17-14(10)12)9-4-6-11(16)7-5-9/h1-8,16H
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n/an/a 3.03E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162934
PNG
(CHEMBL3794486)
Show SMILES Cc1cccc2cc(oc12)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12O2/c1-10-3-2-4-12-9-14(17-15(10)12)11-5-7-13(16)8-6-11/h2-9,16H,1H3
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n/an/a 7.70E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162932
PNG
(CHEMBL3794353)
Show SMILES Oc1ccc(cc1)-c1cc2cccc(Br)c2o1
Show InChI InChI=1S/C14H9BrO2/c15-12-3-1-2-10-8-13(17-14(10)12)9-4-6-11(16)7-5-9/h1-8,16H
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n/an/a 8.25E+4n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162939
PNG
(CHEMBL3794002)
Show SMILES COc1ccc(cc1)-c1cc2cccc(Cl)c2o1
Show InChI InChI=1S/C15H11ClO2/c1-17-12-7-5-10(6-8-12)14-9-11-3-2-4-13(16)15(11)18-14/h2-9H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162931
PNG
(CHEMBL3792674)
Show SMILES Oc1ccc(cc1)-c1cc2cc(Cl)ccc2o1
Show InChI InChI=1S/C14H9ClO2/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8,16H
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162933
PNG
(CHEMBL3794374)
Show SMILES Oc1ccc(cc1)-c1cc2cc(Br)ccc2o1
Show InChI InChI=1S/C14H9BrO2/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8,16H
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162938
PNG
(CHEMBL3793173)
Show SMILES Brc1cccc2cc(oc12)-c1ccccc1
Show InChI InChI=1S/C14H9BrO/c15-12-8-4-7-11-9-13(16-14(11)12)10-5-2-1-3-6-10/h1-9H
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162940
PNG
(CHEMBL3794170)
Show SMILES COc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C15H12O2/c1-16-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)17-15/h2-10H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162937
PNG
(CHEMBL3794402)
Show SMILES Oc1ccc(cc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C14H10O2/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,15H
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162935
PNG
(CHEMBL3793479)
Show SMILES Cc1ccc2oc(cc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12O2/c1-10-2-7-14-12(8-10)9-15(17-14)11-3-5-13(16)6-4-11/h2-9,16H,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50162941
PNG
(2-Phenylbenzofuran | CHEMBL1643182)
Show SMILES c1c(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H10O/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10H
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of equine BChE using S-butyrylthiocholine chloride as substrate by Ellman's method


Bioorg Med Chem Lett 26: 2308-13 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.039
BindingDB Entry DOI: 10.7270/Q2ZP481G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%