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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50040779   
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
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400030
PNG
(CHEMBL2177713)
Show SMILES CCN(C)C(=O)Oc1cccc2C(CCC(=O)OC)CNc12
Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-11(10-17-15(12)13)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
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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Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400024
PNG
(CHEMBL2177719)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCN)c12
Show InChI InChI=1S/C14H21N3O2/c1-3-17(2)14(18)19-12-6-4-5-11-13(12)10(7-8-15)9-16-11/h4-6,10,16H,3,7-9,15H2,1-2H3
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Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400020
PNG
(CHEMBL2181475)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(=O)OC)c12
Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-15(13)11(10-17-12)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3
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Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400017
PNG
(CHEMBL2177700)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(O)=O)c12
Show InChI InChI=1S/C15H20N2O4/c1-3-17(2)15(20)21-12-6-4-5-11-14(12)10(9-16-11)7-8-13(18)19/h4-6,10,16H,3,7-9H2,1-2H3,(H,18,19)
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Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400024
PNG
(CHEMBL2177719)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCN)c12
Show InChI InChI=1S/C14H21N3O2/c1-3-17(2)14(18)19-12-6-4-5-11-13(12)10(7-8-15)9-16-11/h4-6,10,16H,3,7-9,15H2,1-2H3
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Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM10750
PNG
((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)
Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
Show InChI InChI=1S/C16H20N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3/t15-/m1/s1
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Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400018
PNG
(CHEMBL2177699)
Show SMILES CCOC(=O)CCC1CNc2cccc(OC(=O)N(C)CC)c12
Show InChI InChI=1S/C17H24N2O4/c1-4-19(3)17(21)23-14-8-6-7-13-16(14)12(11-18-13)9-10-15(20)22-5-2/h6-8,12,18H,4-5,9-11H2,1-3H3
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Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10620
PNG
((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...)
Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
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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Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400027
PNG
(CHEMBL2177716)
Show SMILES CCN(C)C(=O)Oc1cccc2N(CCC(=O)OC)CCc12
Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(20)22-14-7-5-6-13-12(14)8-10-18(13)11-9-15(19)21-3/h5-7H,4,8-11H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400028
PNG
(CHEMBL2177715)
Show SMILES CCN(C)C(=O)Oc1cccc2NCCc12
Show InChI InChI=1S/C12H16N2O2/c1-3-14(2)12(15)16-11-6-4-5-10-9(11)7-8-13-10/h4-6,13H,3,7-8H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400013
PNG
(CHEMBL2177704)
Show SMILES COC(=O)CCC1CNc2cccc(OC(=O)N(C)c3ccc(OC)cc3)c12
Show InChI InChI=1S/C21H24N2O5/c1-23(15-8-10-16(26-2)11-9-15)21(25)28-18-6-4-5-17-20(18)14(13-22-17)7-12-19(24)27-3/h4-6,8-11,14,22H,7,12-13H2,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400029
PNG
(CHEMBL2177714)
Show SMILES CN(C)C(=O)Oc1cccc2NCCc12
Show InChI InChI=1S/C11H14N2O2/c1-13(2)11(14)15-10-5-3-4-9-8(10)6-7-12-9/h3-5,12H,6-7H2,1-2H3
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Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400029
PNG
(CHEMBL2177714)
Show SMILES CN(C)C(=O)Oc1cccc2NCCc12
Show InChI InChI=1S/C11H14N2O2/c1-13(2)11(14)15-10-5-3-4-9-8(10)6-7-12-9/h3-5,12H,6-7H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400009
PNG
(CHEMBL2177708)
Show SMILES CCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CNc2c1
Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-12-6-7-13-11(5-8-15(19)21-3)10-17-14(13)9-12/h6-7,9,11,17H,4-5,8,10H2,1-3H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400013
PNG
(CHEMBL2177704)
Show SMILES COC(=O)CCC1CNc2cccc(OC(=O)N(C)c3ccc(OC)cc3)c12
Show InChI InChI=1S/C21H24N2O5/c1-23(15-8-10-16(26-2)11-9-15)21(25)28-18-6-4-5-17-20(18)14(13-22-17)7-12-19(24)27-3/h4-6,8-11,14,22H,7,12-13H2,1-3H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400027
PNG
(CHEMBL2177716)
Show SMILES CCN(C)C(=O)Oc1cccc2N(CCC(=O)OC)CCc12
Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(20)22-14-7-5-6-13-12(14)8-10-18(13)11-9-15(19)21-3/h5-7H,4,8-11H2,1-3H3
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Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400025
PNG
(CHEMBL2177718)
Show SMILES CCN(C)C(=O)Oc1ccc2CCN(CCC(=O)OC)c2c1
Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(20)22-13-6-5-12-7-9-18(14(12)11-13)10-8-15(19)21-3/h5-6,11H,4,7-10H2,1-3H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400019
PNG
(CHEMBL2177698)
Show SMILES CCN(C)C(=O)Oc1cccc2N(C)CC(CCC(=O)OC)c12
Show InChI InChI=1S/C17H24N2O4/c1-5-18(2)17(21)23-14-8-6-7-13-16(14)12(11-19(13)3)9-10-15(20)22-4/h6-8,12H,5,9-11H2,1-4H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400028
PNG
(CHEMBL2177715)
Show SMILES CCN(C)C(=O)Oc1cccc2NCCc12
Show InChI InChI=1S/C12H16N2O2/c1-3-14(2)12(15)16-11-6-4-5-10-9(11)7-8-13-10/h4-6,13H,3,7-8H2,1-2H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400020
PNG
(CHEMBL2181475)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(=O)OC)c12
Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-15(13)11(10-17-12)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400015
PNG
(CHEMBL2177702)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(N)=O)c12
Show InChI InChI=1S/C15H21N3O3/c1-3-18(2)15(20)21-12-6-4-5-11-14(12)10(9-17-11)7-8-13(16)19/h4-6,10,17H,3,7-9H2,1-2H3,(H2,16,19)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400023
PNG
(CHEMBL2177720)
Show SMILES CCN(C)C(=O)Oc1cccc2[nH]cc(CCC(=O)OC)c12
Show InChI InChI=1S/C16H20N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-15(13)11(10-17-12)8-9-14(19)21-3/h5-7,10,17H,4,8-9H2,1-3H3
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n/an/a 9.50E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400016
PNG
(CHEMBL2177701)
Show SMILES CCN(C)C(=O)Oc1cccc2N(C)CC(CCC(O)=O)c12
Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(21)22-13-7-5-6-12-15(13)11(10-18(12)3)8-9-14(19)20/h5-7,11H,4,8-10H2,1-3H3,(H,19,20)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400008
PNG
(CHEMBL2177709)
Show SMILES CCN(C)C(=O)Oc1ccc2C(CCC(O)=O)CNc2c1
Show InChI InChI=1S/C15H20N2O4/c1-3-17(2)15(20)21-11-5-6-12-10(4-7-14(18)19)9-16-13(12)8-11/h5-6,8,10,16H,3-4,7,9H2,1-2H3,(H,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400031
PNG
(CHEMBL2177111)
Show SMILES COC(=O)CCC1CN(C)c2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc12
Show InChI InChI=1S/C22H26N2O5/c1-23-14-15(5-12-21(25)28-4)19-11-10-18(13-20(19)23)29-22(26)24(2)16-6-8-17(27-3)9-7-16/h6-11,13,15H,5,12,14H2,1-4H3
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n/an/a 1.74E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400017
PNG
(CHEMBL2177700)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(O)=O)c12
Show InChI InChI=1S/C15H20N2O4/c1-3-17(2)15(20)21-12-6-4-5-11-14(12)10(9-16-11)7-8-13(18)19/h4-6,10,16H,3,7-9H2,1-2H3,(H,18,19)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400023
PNG
(CHEMBL2177720)
Show SMILES CCN(C)C(=O)Oc1cccc2[nH]cc(CCC(=O)OC)c12
Show InChI InChI=1S/C16H20N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-15(13)11(10-17-12)8-9-14(19)21-3/h5-7,10,17H,4,8-9H2,1-3H3
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n/an/a 1.96E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM10750
PNG
((3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-...)
Show SMILES CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
Show InChI InChI=1S/C16H20N2O2/c1-4-10-17-15-9-7-12-6-8-13(11-14(12)15)20-16(19)18(3)5-2/h1,6,8,11,15,17H,5,7,9-10H2,2-3H3/t15-/m1/s1
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n/an/a 3.03E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400012
PNG
(CHEMBL2177705)
Show SMILES COc1ccc(cc1)N(C)C(=O)Oc1cccc2NCC(CCC(O)=O)c12
Show InChI InChI=1S/C20H22N2O5/c1-22(14-7-9-15(26-2)10-8-14)20(25)27-17-5-3-4-16-19(17)13(12-21-16)6-11-18(23)24/h3-5,7-10,13,21H,6,11-12H2,1-2H3,(H,23,24)
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n/an/a 3.78E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400032
PNG
(CHEMBL2177712)
Show SMILES COC(=O)CCC1CNc2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc12
Show InChI InChI=1S/C21H24N2O5/c1-23(15-5-7-16(26-2)8-6-15)21(25)28-17-9-10-18-14(4-11-20(24)27-3)13-22-19(18)12-17/h5-10,12,14,22H,4,11,13H2,1-3H3
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n/an/a 3.82E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400018
PNG
(CHEMBL2177699)
Show SMILES CCOC(=O)CCC1CNc2cccc(OC(=O)N(C)CC)c12
Show InChI InChI=1S/C17H24N2O4/c1-4-19(3)17(21)23-14-8-6-7-13-16(14)12(11-18-13)9-10-15(20)22-5-2/h6-8,12,18H,4-5,9-11H2,1-3H3
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n/an/a 4.02E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400032
PNG
(CHEMBL2177712)
Show SMILES COC(=O)CCC1CNc2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc12
Show InChI InChI=1S/C21H24N2O5/c1-23(15-5-7-16(26-2)8-6-15)21(25)28-17-9-10-18-14(4-11-20(24)27-3)13-22-19(18)12-17/h5-10,12,14,22H,4,11,13H2,1-3H3
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n/an/a 5.40E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400009
PNG
(CHEMBL2177708)
Show SMILES CCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CNc2c1
Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-12-6-7-13-11(5-8-15(19)21-3)10-17-14(13)9-12/h6-7,9,11,17H,4-5,8,10H2,1-3H3
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n/an/a 5.52E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400026
PNG
(CHEMBL2177717)
Show SMILES CCN(C)C(=O)Oc1ccc2CCN(C)c2c1
Show InChI InChI=1S/C13H18N2O2/c1-4-14(2)13(16)17-11-6-5-10-7-8-15(3)12(10)9-11/h5-6,9H,4,7-8H2,1-3H3
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n/an/a 5.87E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400019
PNG
(CHEMBL2177698)
Show SMILES CCN(C)C(=O)Oc1cccc2N(C)CC(CCC(=O)OC)c12
Show InChI InChI=1S/C17H24N2O4/c1-5-18(2)17(21)23-14-8-6-7-13-16(14)12(11-19(13)3)9-10-15(20)22-4/h6-8,12H,5,9-11H2,1-4H3
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n/an/a 5.87E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400030
PNG
(CHEMBL2177713)
Show SMILES CCN(C)C(=O)Oc1cccc2C(CCC(=O)OC)CNc12
Show InChI InChI=1S/C16H22N2O4/c1-4-18(2)16(20)22-13-7-5-6-12-11(10-17-15(12)13)8-9-14(19)21-3/h5-7,11,17H,4,8-10H2,1-3H3
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n/an/a 6.16E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400015
PNG
(CHEMBL2177702)
Show SMILES CCN(C)C(=O)Oc1cccc2NCC(CCC(N)=O)c12
Show InChI InChI=1S/C15H21N3O3/c1-3-18(2)15(20)21-12-6-4-5-11-14(12)10(9-17-11)7-8-13(16)19/h4-6,10,17H,3,7-9H2,1-2H3,(H2,16,19)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400007
PNG
(CHEMBL2177710)
Show SMILES CCCCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CNc2c1
Show InChI InChI=1S/C18H26N2O4/c1-4-5-10-20(2)18(22)24-14-7-8-15-13(6-9-17(21)23-3)12-19-16(15)11-14/h7-8,11,13,19H,4-6,9-10,12H2,1-3H3
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n/an/a 6.23E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400033
PNG
(CHEMBL2177711)
Show SMILES CCCCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CN(C)c2c1
Show InChI InChI=1S/C19H28N2O4/c1-5-6-11-20(2)19(23)25-15-8-9-16-14(7-10-18(22)24-4)13-21(3)17(16)12-15/h8-9,12,14H,5-7,10-11,13H2,1-4H3
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n/an/a 6.68E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400014
PNG
(CHEMBL2177703)
Show SMILES CCCCN(C)C(=O)Oc1cccc2N(C)CC(CCC(=O)OC)c12
Show InChI InChI=1S/C19H28N2O4/c1-5-6-12-20(2)19(23)25-16-9-7-8-15-18(16)14(13-21(15)3)10-11-17(22)24-4/h7-9,14H,5-6,10-13H2,1-4H3
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n/an/a 6.81E+4n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400033
PNG
(CHEMBL2177711)
Show SMILES CCCCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CN(C)c2c1
Show InChI InChI=1S/C19H28N2O4/c1-5-6-11-20(2)19(23)25-15-8-9-16-14(7-10-18(22)24-4)13-21(3)17(16)12-15/h8-9,12,14H,5-7,10-11,13H2,1-4H3
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n/an/a 1.22E+5n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400016
PNG
(CHEMBL2177701)
Show SMILES CCN(C)C(=O)Oc1cccc2N(C)CC(CCC(O)=O)c12
Show InChI InChI=1S/C16H22N2O4/c1-4-17(2)16(21)22-13-7-5-6-12-15(13)11(10-18(12)3)8-9-14(19)20/h5-7,11H,4,8-10H2,1-3H3,(H,19,20)
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n/an/a 1.24E+5n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400010
PNG
(CHEMBL2177707)
Show SMILES COc1ccc(cc1)N(C)C(=O)Oc1cccc2N(C)CC(CCC(O)=O)c12
Show InChI InChI=1S/C21H24N2O5/c1-22-13-14(7-12-19(24)25)20-17(22)5-4-6-18(20)28-21(26)23(2)15-8-10-16(27-3)11-9-15/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,24,25)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400008
PNG
(CHEMBL2177709)
Show SMILES CCN(C)C(=O)Oc1ccc2C(CCC(O)=O)CNc2c1
Show InChI InChI=1S/C15H20N2O4/c1-3-17(2)15(20)21-11-5-6-12-10(4-7-14(18)19)9-16-13(12)8-11/h5-6,8,10,16H,3-4,7,9H2,1-2H3,(H,18,19)
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n/an/a 1.75E+5n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400022
PNG
(CHEMBL2177721)
Show SMILES CCN(C)C(=O)Oc1cccc2n(C)cc(CCC(=O)OC)c12
Show InChI InChI=1S/C17H22N2O4/c1-5-18(2)17(21)23-14-8-6-7-13-16(14)12(11-19(13)3)9-10-15(20)22-4/h6-8,11H,5,9-10H2,1-4H3
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n/an/a 1.80E+5n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400014
PNG
(CHEMBL2177703)
Show SMILES CCCCN(C)C(=O)Oc1cccc2N(C)CC(CCC(=O)OC)c12
Show InChI InChI=1S/C19H28N2O4/c1-5-6-12-20(2)19(23)25-16-9-7-8-15-18(16)14(13-21(15)3)10-11-17(22)24-4/h7-9,14H,5-6,10-13H2,1-4H3
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n/an/a 1.97E+5n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50400011
PNG
(CHEMBL2177706)
Show SMILES COC(=O)CCC1CN(C)c2cccc(OC(=O)N(C)c3ccc(OC)cc3)c12
Show InChI InChI=1S/C22H26N2O5/c1-23-14-15(8-13-20(25)28-4)21-18(23)6-5-7-19(21)29-22(26)24(2)16-9-11-17(27-3)12-10-16/h5-7,9-12,15H,8,13-14H2,1-4H3
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n/an/a 2.46E+5n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of bovine AChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400031
PNG
(CHEMBL2177111)
Show SMILES COC(=O)CCC1CN(C)c2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc12
Show InChI InChI=1S/C22H26N2O5/c1-23-14-15(5-12-21(25)28-4)19-11-10-18(13-20(19)23)29-22(26)24(2)16-6-8-17(27-3)9-7-16/h6-11,13,15H,5,12,14H2,1-4H3
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n/an/a 3.72E+5n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Equus caballus (Horse))
BDBM50400007
PNG
(CHEMBL2177710)
Show SMILES CCCCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CNc2c1
Show InChI InChI=1S/C18H26N2O4/c1-4-5-10-20(2)18(22)24-14-7-8-15-13(6-9-17(21)23-3)12-19-16(15)11-14/h7-8,11,13,19H,4-6,9-10,12H2,1-3H3
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n/an/a 4.04E+5n/an/an/an/an/an/a



Bar Ilan University

Curated by ChEMBL


Assay Description
Inhibition of equine BuChE after 120 mins by Ellman's method


J Med Chem 55: 10700-15 (2012)


Article DOI: 10.1021/jm301411g
BindingDB Entry DOI: 10.7270/Q23X87S3
More data for this
Ligand-Target Pair
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