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PubMed code 24681070

Compile data set for download or QSAR
Found 15 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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004244
PNG
(CHEMBL3237461)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2ccccc2o1
Show InChI InChI=1S/C24H18N4O3S/c1-15-23-22(18-7-3-6-10-21(18)32(29,30)27(23)2)26-28(15)17-13-11-16(12-14-17)24-25-19-8-4-5-9-20(19)31-24/h3-14H,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004238
PNG
(CHEMBL3237453)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C25H19N5O4S/c1-14-23-22(18-5-3-4-6-21(18)35(33,34)29(23)2)28-30(14)17-10-7-15(8-11-17)24-26-19-12-9-16(25(31)32)13-20(19)27-24/h3-13H,1-2H3,(H,26,27)(H,31,32)
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n/an/a 26n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004241
PNG
(CHEMBL3233057)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C25H21N5O2S/c1-15-8-13-20-21(14-15)27-25(26-20)17-9-11-18(12-10-17)30-16(2)24-23(28-30)19-6-4-5-7-22(19)33(31,32)29(24)3/h4-14H,1-3H3,(H,26,27)
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n/an/a 41n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004240
PNG
(CHEMBL3237456)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H19N5O2S/c1-15-23-22(18-7-3-6-10-21(18)32(30,31)28(23)2)27-29(15)17-13-11-16(12-14-17)24-25-19-8-4-5-9-20(19)26-24/h3-14H,1-2H3,(H,25,26)
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n/an/a 43n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004248
PNG
(CHEMBL3237466)
Show SMILES CN1c2c(nn(c2-c2ccccc2)-c2ccc(cc2)-c2nc3ccccc3[nH]2)-c2ccccc2S1(=O)=O
Show InChI InChI=1S/C29H21N5O2S/c1-33-28-26(22-11-5-8-14-25(22)37(33,35)36)32-34(27(28)19-9-3-2-4-10-19)21-17-15-20(16-18-21)29-30-23-12-6-7-13-24(23)31-29/h2-18H,1H3,(H,30,31)
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n/an/a 43n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004239
PNG
(CHEMBL3237455)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C24H18BrN5O2S/c1-14-23-22(18-5-3-4-6-21(18)33(31,32)29(23)2)28-30(14)17-10-7-15(8-11-17)24-26-19-12-9-16(25)13-20(19)27-24/h3-13H,1-2H3,(H,26,27)
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n/an/a 49n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004250
PNG
(CHEMBL3237473)
Show SMILES CCOC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(cc1)-n1nc-2c(N(C)S(=O)(=O)c3ccccc-23)c1-c1ccccc1
Show InChI InChI=1S/C32H25N5O4S/c1-3-41-32(38)22-15-18-25-26(19-22)34-31(33-25)21-13-16-23(17-14-21)37-29(20-9-5-4-6-10-20)30-28(35-37)24-11-7-8-12-27(24)42(39,40)36(30)2/h4-19H,3H2,1-2H3,(H,33,34)
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n/an/a 180n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004242
PNG
(CHEMBL3237457)
Show SMILES CN1c2c(C)n(nc2-c2ccccc2S1(=O)=O)-c1ccc(cc1)-c1nc2cc(C)c(C)cc2[nH]1
Show InChI InChI=1S/C26H23N5O2S/c1-15-13-21-22(14-16(15)2)28-26(27-21)18-9-11-19(12-10-18)31-17(3)25-24(29-31)20-7-5-6-8-23(20)34(32,33)30(25)4/h5-14H,1-4H3,(H,27,28)
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n/an/a 273n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004249
PNG
(CHEMBL3237471)
Show SMILES CN1c2c(nn(c2-c2ccccc2)-c2ccc(cc2)-c2nc3cncnc3[nH]2)-c2ccccc2S1(=O)=O
Show InChI InChI=1S/C27H19N7O2S/c1-33-25-23(20-9-5-6-10-22(20)37(33,35)36)32-34(24(25)17-7-3-2-4-8-17)19-13-11-18(12-14-19)26-30-21-15-28-16-29-27(21)31-26/h2-16H,1H3,(H,28,29,30,31)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004247
PNG
(CHEMBL3237465)
Show SMILES CN1c2c(nn(c2-c2ccccc2)-c2ccc(cc2)-c2nc3cc(Br)ccc3[nH]2)-c2ccccc2S1(=O)=O
Show InChI InChI=1S/C29H20BrN5O2S/c1-34-28-26(22-9-5-6-10-25(22)38(34,36)37)33-35(27(28)18-7-3-2-4-8-18)21-14-11-19(12-15-21)29-31-23-16-13-20(30)17-24(23)32-29/h2-17H,1H3,(H,31,32)
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n/an/a 3.23E+3n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004245
PNG
(CHEMBL3237463)
Show SMILES CN1c2c(nn(c2-c2ccccc2)-c2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)-c2ccccc2S1(=O)=O
Show InChI InChI=1S/C30H21N5O4S/c1-34-28-26(22-9-5-6-10-25(22)40(34,38)39)33-35(27(28)18-7-3-2-4-8-18)21-14-11-19(12-15-21)29-31-23-16-13-20(30(36)37)17-24(23)32-29/h2-17H,1H3,(H,31,32)(H,36,37)
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n/an/a 4.62E+3n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
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 6.41E+3n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004243
PNG
(CHEMBL3237459)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1ccc(cc1)-n1nc-2c(N(C)S(=O)(=O)c3ccccc-23)c1C
Show InChI InChI=1S/C25H21N5O3S/c1-15-24-23(19-6-4-5-7-22(19)34(31,32)29(24)2)28-30(15)17-10-8-16(9-11-17)25-26-20-13-12-18(33-3)14-21(20)27-25/h4-14H,1-3H3,(H,26,27)
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n/an/a 6.92E+3n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50004246
PNG
(CHEMBL3237464)
Show SMILES CN1c2c(nn(c2-c2ccccc2)-c2ccc(cc2)-c2nc3cc(Cl)ccc3[nH]2)-c2ccccc2S1(=O)=O
Show InChI InChI=1S/C29H20ClN5O2S/c1-34-28-26(22-9-5-6-10-25(22)38(34,36)37)33-35(27(28)18-7-3-2-4-8-18)21-14-11-19(12-15-21)29-31-23-16-13-20(30)17-24(23)32-29/h2-17H,1H3,(H,31,32)
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n/an/a 9.94E+3n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
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 4.96E+4n/an/an/an/an/an/a



Government College Women University

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine chloride as substrate preincubated with enzyme for 10 mins prior to substrate challenge ...


Eur J Med Chem 78: 106-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.03.035
BindingDB Entry DOI: 10.7270/Q2TD9ZVD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%