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PubMed code 26588065

Compile data set for download or QSAR
Found 45 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


(Electrophorus electricus (Electric eel))		BDBM50500457
PNG
(CHEMBL3746815)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Br)c1
Show InChI InChI=1S/C21H15BrN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)
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 10n/an/an/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate assessed as free enzyme preincubated for 5 mins followed by su...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500457
PNG
(CHEMBL3746815)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Br)c1
Show InChI InChI=1S/C21H15BrN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate assessed as enzyme-substrate complex preincubated for 5 mins f...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500457
PNG
(CHEMBL3746815)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Br)c1
Show InChI InChI=1S/C21H15BrN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM189377
PNG
(N-(4-(tert-butyl)benzyl)-8-imino-4-methyl-2-oxo-2H...)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H24N2O4/c1-14-11-21(28)31-22-17(14)9-10-20-18(22)12-19(23(26)30-20)24(29)27-13-15-5-7-16(8-6-15)25(2,3)4/h5-12,26H,13H2,1-4H3,(H,27,29)
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n/an/a 10n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500467
PNG
(CHEMBL3745757)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C21H15ClN2O4/c1-11-8-18(25)28-19-13(11)6-7-17-14(19)9-15(20(23)27-17)21(26)24-10-12-4-2-3-5-16(12)22/h2-9,23H,10H2,1H3,(H,24,26)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500458
PNG
(CHEMBL3746565)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccccc1Br
Show InChI InChI=1S/C21H15BrN2O4/c1-11-8-18(25)28-19-13(11)6-7-17-14(19)9-15(20(23)27-17)21(26)24-10-12-4-2-3-5-16(12)22/h2-9,23H,10H2,1H3,(H,24,26)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500456
PNG
(CHEMBL3747774)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H15ClN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500455
PNG
(CHEMBL3746856)
Show SMILES CCCCCCCCCCCCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C26H34N2O4/c1-3-4-5-6-7-8-9-10-11-12-15-28-26(30)21-17-20-22(31-25(21)27)14-13-19-18(2)16-23(29)32-24(19)20/h13-14,16-17,27H,3-12,15H2,1-2H3,(H,28,30)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500464
PNG
(CHEMBL3745983)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NC1CCCCC1
Show InChI InChI=1S/C20H20N2O4/c1-11-9-17(23)26-18-13(11)7-8-16-14(18)10-15(19(21)25-16)20(24)22-12-5-3-2-4-6-12/h7-10,12,21H,2-6H2,1H3,(H,22,24)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
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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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500469
PNG
(CHEMBL3746981)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H20N2O4/c1-16-14-23(30)33-25-19(16)12-13-22-20(25)15-21(26(28)32-22)27(31)29-24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,24,28H,1H3,(H,29,31)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500462
PNG
(CHEMBL3747348)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H16N2O5/c1-10-8-15(21)25-16-11(10)2-3-14-12(16)9-13(17(19)24-14)18(22)20-4-6-23-7-5-20/h2-3,8-9,19H,4-7H2,1H3
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500466
PNG
(CHEMBL3747027)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H13N3O6/c1-10-8-17(24)29-18-11(10)6-7-16-12(18)9-13(19(21)28-16)20(25)22-14-4-2-3-5-15(14)23(26)27/h2-9,21H,1H3,(H,22,25)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500468
PNG
(CHEMBL3745771)
Show SMILES CC(NC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c1-12-10-19(25)28-20-15(12)8-9-18-16(20)11-17(21(23)27-18)22(26)24-13(2)14-6-4-3-5-7-14/h3-11,13,23H,1-2H3,(H,24,26)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500460
PNG
(CHEMBL3746173)
Show SMILES CCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C16H14N2O4/c1-3-18-16(20)11-7-10-12(21-15(11)17)5-4-9-8(2)6-13(19)22-14(9)10/h4-7,17H,3H2,1-2H3,(H,18,20)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500459
PNG
(CHEMBL3747030)
Show SMILES COc1ccc(CNC(=O)c2cc3c(ccc4c(C)cc(=O)oc34)oc2=N)c(OC)c1
Show InChI InChI=1S/C23H20N2O6/c1-12-8-20(26)31-21-15(12)6-7-18-16(21)10-17(22(24)30-18)23(27)25-11-13-4-5-14(28-2)9-19(13)29-3/h4-10,24H,11H2,1-3H3,(H,25,27)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		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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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500452
PNG
(CHEMBL3746215)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NC1CC1
Show InChI InChI=1S/C17H14N2O4/c1-8-6-14(20)23-15-10(8)4-5-13-11(15)7-12(16(18)22-13)17(21)19-9-2-3-9/h4-7,9,18H,2-3H2,1H3,(H,19,21)
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500463
PNG
(CHEMBL3746086)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)N1CCCC1
Show InChI InChI=1S/C18H16N2O4/c1-10-8-15(21)24-16-11(10)4-5-14-12(16)9-13(17(19)23-14)18(22)20-6-2-3-7-20/h4-5,8-9,19H,2-3,6-7H2,1H3
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Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500454
PNG
(CHEMBL3746327)
Show SMILES CNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C15H12N2O4/c1-7-5-12(18)21-13-8(7)3-4-11-9(13)6-10(14(16)20-11)15(19)17-2/h3-6,16H,1-2H3,(H,17,19)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 1.77E+3n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500461
PNG
(CHEMBL3746509)
Show SMILES COc1ccc(cc1)C(C)NC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C23H20N2O5/c1-12-10-20(26)30-21-16(12)8-9-19-17(21)11-18(22(24)29-19)23(27)25-13(2)14-4-6-15(28-3)7-5-14/h4-11,13,24H,1-3H3,(H,25,27)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500465
PNG
(CHEMBL3747234)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H16N2O4/c1-12-9-18(24)27-19-14(12)7-8-17-15(19)10-16(20(22)26-17)21(25)23-11-13-5-3-2-4-6-13/h2-10,22H,11H2,1H3,(H,23,25)
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n/an/a 2.13E+3n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50500453
PNG
(CHEMBL3746191)
Show SMILES COc1ccccc1OCCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C23H20N2O6/c1-13-11-20(26)31-21-14(13)7-8-17-15(21)12-16(22(24)30-17)23(27)25-9-10-29-19-6-4-3-5-18(19)28-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,25,27)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured after 5 m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM11682
PNG
(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)
Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(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 7.69E+3n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500460
PNG
(CHEMBL3746173)
Show SMILES CCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C16H14N2O4/c1-3-18-16(20)11-7-10-12(21-15(11)17)5-4-9-8(2)6-13(19)22-14(9)10/h4-7,17H,3H2,1-2H3,(H,18,20)
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n/an/a 1.13E+4n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
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 1.98E+4n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500453
PNG
(CHEMBL3746191)
Show SMILES COc1ccccc1OCCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C23H20N2O6/c1-13-11-20(26)31-21-14(13)7-8-17-15(21)12-16(22(24)30-17)23(27)25-9-10-29-19-6-4-3-5-18(19)28-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,25,27)
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n/an/a 2.48E+4n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500468
PNG
(CHEMBL3745771)
Show SMILES CC(NC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N)c1ccccc1
Show InChI InChI=1S/C22H18N2O4/c1-12-10-19(25)28-20-15(12)8-9-18-16(20)11-17(21(23)27-18)22(26)24-13(2)14-6-4-3-5-7-14/h3-11,13,23H,1-2H3,(H,24,26)
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n/an/a 3.58E+4n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500452
PNG
(CHEMBL3746215)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NC1CC1
Show InChI InChI=1S/C17H14N2O4/c1-8-6-14(20)23-15-10(8)4-5-13-11(15)7-12(16(18)22-13)17(21)19-9-2-3-9/h4-7,9,18H,2-3H2,1H3,(H,19,21)
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n/an/a 3.89E+4n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500464
PNG
(CHEMBL3745983)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NC1CCCCC1
Show InChI InChI=1S/C20H20N2O4/c1-11-9-17(23)26-18-13(11)7-8-16-14(18)10-15(19(21)25-16)20(24)22-12-5-3-2-4-6-12/h7-10,12,21H,2-6H2,1H3,(H,22,24)
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n/an/a 4.21E+4n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM189377
PNG
(N-(4-(tert-butyl)benzyl)-8-imino-4-methyl-2-oxo-2H...)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C25H24N2O4/c1-14-11-21(28)31-22-17(14)9-10-20-18(22)12-19(23(26)30-20)24(29)27-13-15-5-7-16(8-6-15)25(2,3)4/h5-12,26H,13H2,1-4H3,(H,27,29)
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n/an/a 5.79E+4n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500463
PNG
(CHEMBL3746086)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)N1CCCC1
Show InChI InChI=1S/C18H16N2O4/c1-10-8-15(21)24-16-11(10)4-5-14-12(16)9-13(17(19)23-14)18(22)20-6-2-3-7-20/h4-5,8-9,19H,2-3,6-7H2,1H3
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n/an/a 7.31E+4n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500456
PNG
(CHEMBL3747774)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C21H15ClN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500465
PNG
(CHEMBL3747234)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H16N2O4/c1-12-9-18(24)27-19-14(12)7-8-17-15(19)10-16(20(22)26-17)21(25)23-11-13-5-3-2-4-6-13/h2-10,22H,11H2,1H3,(H,23,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500466
PNG
(CHEMBL3747027)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)Nc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H13N3O6/c1-10-8-17(24)29-18-11(10)6-7-16-12(18)9-13(19(21)28-16)20(25)22-14-4-2-3-5-15(14)23(26)27/h2-9,21H,1H3,(H,22,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500455
PNG
(CHEMBL3746856)
Show SMILES CCCCCCCCCCCCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C26H34N2O4/c1-3-4-5-6-7-8-9-10-11-12-15-28-26(30)21-17-20-22(31-25(21)27)14-13-19-18(2)16-23(29)32-24(19)20/h13-14,16-17,27H,3-12,15H2,1-2H3,(H,28,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500454
PNG
(CHEMBL3746327)
Show SMILES CNC(=O)c1cc2c(ccc3c(C)cc(=O)oc23)oc1=N
Show InChI InChI=1S/C15H12N2O4/c1-7-5-12(18)21-13-8(7)3-4-11-9(13)6-10(14(16)20-11)15(19)17-2/h3-6,16H,1-2H3,(H,17,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500467
PNG
(CHEMBL3745757)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccccc1Cl
Show InChI InChI=1S/C21H15ClN2O4/c1-11-8-18(25)28-19-13(11)6-7-17-14(19)9-15(20(23)27-17)21(26)24-10-12-4-2-3-5-16(12)22/h2-9,23H,10H2,1H3,(H,24,26)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500459
PNG
(CHEMBL3747030)
Show SMILES COc1ccc(CNC(=O)c2cc3c(ccc4c(C)cc(=O)oc34)oc2=N)c(OC)c1
Show InChI InChI=1S/C23H20N2O6/c1-12-8-20(26)31-21-15(12)6-7-18-16(21)10-17(22(24)30-18)23(27)25-11-13-4-5-14(28-2)9-19(13)29-3/h4-10,24H,11H2,1-3H3,(H,25,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500457
PNG
(CHEMBL3746815)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1cccc(Br)c1
Show InChI InChI=1S/C21H15BrN2O4/c1-11-7-18(25)28-19-14(11)5-6-17-15(19)9-16(20(23)27-17)21(26)24-10-12-3-2-4-13(22)8-12/h2-9,23H,10H2,1H3,(H,24,26)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50500458
PNG
(CHEMBL3746565)
Show SMILES Cc1cc(=O)oc2c1ccc1oc(=N)c(cc21)C(=O)NCc1ccccc1Br
Show InChI InChI=1S/C21H15BrN2O4/c1-11-8-18(25)28-19-13(11)6-7-17-14(19)9-15(20(23)27-17)21(26)24-10-12-4-2-3-5-16(12)22/h2-9,23H,10H2,1H3,(H,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
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UniChem
Article
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n/an/a>1.00E+5n/an/an/an/an/an/a



Yogi Vemana University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...

Eur J Med Chem 107: 219-32 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.046
BindingDB Entry DOI: 10.7270/Q2JW8HWF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%