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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50047673   
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


(Homo sapiens (Human))
BDBM50182435
PNG
(CHEMBL3818084)
Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C\C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25NO2/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14,16H2,1H3/b20-13+
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29n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50280646
PNG
(2-[1-(1-Benzyl-piperidin-4-yl)-meth-(E)-ylidene]-5...)
Show SMILES COc1cc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO3/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/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
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35n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50182445
PNG
(CHEMBL3819220)
Show SMILES COc1ccc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C23H25NO2/c1-26-21-8-7-19-14-20(23(25)22(19)15-21)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18/h2-8,13,15,17H,9-12,14,16H2,1H3/b20-13+
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260n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50182442
PNG
(CHEMBL3818616)
Show SMILES Oc1cccc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c12
Show InChI InChI=1S/C22H23NO2/c24-20-8-4-7-18-14-19(22(25)21(18)20)13-16-9-11-23(12-10-16)15-17-5-2-1-3-6-17/h1-8,13,16,24H,9-12,14-15H2/b19-13+
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355n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50182437
PNG
(CHEMBL3819531)
Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C\C1CCN(Cc2cccc(OC)c2)CC1
Show InChI InChI=1S/C24H27NO3/c1-27-21-5-3-4-18(13-21)16-25-10-8-17(9-11-25)12-20-14-19-15-22(28-2)6-7-23(19)24(20)26/h3-7,12-13,15,17H,8-11,14,16H2,1-2H3/b20-12+
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554n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50182446
PNG
(CHEMBL3818167)
Show SMILES COc1cccc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c12
Show InChI InChI=1S/C23H25NO2/c1-26-21-9-5-8-19-15-20(23(25)22(19)21)14-17-10-12-24(13-11-17)16-18-6-3-2-4-7-18/h2-9,14,17H,10-13,15-16H2,1H3/b20-14+
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1.84E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50182443
PNG
(CHEMBL3819646)
Show SMILES Oc1ccc2C(=O)\C(Cc2c1)=C\C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23NO2/c24-20-6-7-21-18(14-20)13-19(22(21)25)12-16-8-10-23(11-9-16)15-17-4-2-1-3-5-17/h1-7,12,14,16,24H,8-11,13,15H2/b19-12+
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1.98E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50182433
PNG
(CHEMBL3819155)
Show SMILES COc1cc2C(=O)\C(Cc2cc1O)=C\C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25NO3/c1-27-22-14-20-18(13-21(22)25)12-19(23(20)26)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,11,13-14,16,25H,7-10,12,15H2,1H3/b19-11+
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2.82E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50182444
PNG
(CHEMBL3818415)
Show SMILES COc1cc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c2cc1O
Show InChI InChI=1S/C23H25NO3/c1-27-22-13-18-12-19(23(26)20(18)14-21(22)25)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,11,13-14,16,25H,7-10,12,15H2,1H3/b19-11+
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2.82E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50182434
PNG
(CHEMBL3818230)
Show SMILES Oc1ccc2C\C(=C/C3CCN(Cc4ccccc4)CC3)C(=O)c2c1
Show InChI InChI=1S/C22H23NO2/c24-20-7-6-18-13-19(22(25)21(18)14-20)12-16-8-10-23(11-9-16)15-17-4-2-1-3-5-17/h1-7,12,14,16,24H,8-11,13,15H2/b19-12+
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4.22E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50182439
PNG
(CHEMBL3819574)
Show SMILES COc1cccc(CN2CCC(CC2)\C=C2/Cc3cccc(OC)c3C2=O)c1
Show InChI InChI=1S/C24H27NO3/c1-27-21-7-3-5-18(14-21)16-25-11-9-17(10-12-25)13-20-15-19-6-4-8-22(28-2)23(19)24(20)26/h3-8,13-14,17H,9-12,15-16H2,1-2H3/b20-13+
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1.72E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50182438
PNG
(CHEMBL3819113)
Show SMILES COc1ccc2C\C(=C/C3CCN(Cc4cccc(OC)c4)CC3)C(=O)c2c1
Show InChI InChI=1S/C24H27NO3/c1-27-21-5-3-4-18(13-21)16-25-10-8-17(9-11-25)12-20-14-19-6-7-22(28-2)15-23(19)24(20)26/h3-7,12-13,15,17H,8-11,14,16H2,1-2H3/b20-12+
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1.19E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi della Magna Gr£cia Viale Europa

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human erythrocytes AchE using acetylthiocholine iodide as substrate incubated for 20 mins by Lineweaver-Burk plot analy...


ACS Med Chem Lett 7: 470-5 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00483
BindingDB Entry DOI: 10.7270/Q2PN97JV
More data for this
Ligand-Target Pair