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PubMed code 27552582

Compile data set for download or QSAR
Found 42 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


(Rattus norvegicus (rat))		BDBM50194134
PNG
(CHEMBL3960702)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN2CCCC2)c1
Show InChI InChI=1S/C15H21N7S/c1-2-16-15(23)20-13-7-14(18-10-17-13)22-9-12(19-11-22)8-21-5-3-4-6-21/h7,9-11H,2-6,8H2,1H3,(H2,16,17,18,20,23)
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n/an/a 67n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50199522
PNG
((+)-huperzine A | (+-)-HA | (-)-1-Amino-13-ethylid...)
Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@@]1(N)CC(C)=C2 |r,c:18,THB:1:2:14.15.17:5.11.4|
Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1
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n/an/a 82n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193955
PNG
(CHEMBL3950058)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN2CCN(C)CC2)c1
Show InChI InChI=1S/C16H24N8S/c1-3-17-16(25)21-14-8-15(19-11-18-14)24-10-13(20-12-24)9-23-6-4-22(2)5-7-23/h8,10-12H,3-7,9H2,1-2H3,(H2,17,18,19,21,25)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50194136
PNG
(CHEMBL3934946)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN2CCCCC2)c1
Show InChI InChI=1S/C16H23N7S/c1-2-17-16(24)21-14-8-15(19-11-18-14)23-10-13(20-12-23)9-22-6-4-3-5-7-22/h8,10-12H,2-7,9H2,1H3,(H2,17,18,19,21,24)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193952
PNG
(CHEMBL3918667)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC)CC)c1
Show InChI InChI=1S/C15H23N7S/c1-4-16-15(23)20-13-7-14(18-10-17-13)22-9-12(19-11-22)8-21(5-2)6-3/h7,9-11H,4-6,8H2,1-3H3,(H2,16,17,18,20,23)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193962
PNG
(CHEMBL3907861)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN2CCCCCC2)c1
Show InChI InChI=1S/C17H25N7S/c1-2-18-17(25)22-15-9-16(20-12-19-15)24-11-14(21-13-24)10-23-7-5-3-4-6-8-23/h9,11-13H,2-8,10H2,1H3,(H2,18,19,20,22,25)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193847
PNG
(CHEMBL3979903)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(C)C)c1
Show InChI InChI=1S/C13H19N7S/c1-4-14-13(21)18-11-5-12(16-8-15-11)20-7-10(17-9-20)6-19(2)3/h5,7-9H,4,6H2,1-3H3,(H2,14,15,16,18,21)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193940
PNG
(CHEMBL3896370)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(C=O)c1
Show InChI InChI=1S/C11H12N6OS/c1-2-12-11(19)16-9-3-10(14-6-13-9)17-4-8(5-18)15-7-17/h3-7H,2H2,1H3,(H2,12,13,14,16,19)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193961
PNG
(CHEMBL3933144)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(c1)[N+]([O-])=O
Show InChI InChI=1S/C10H11N7O2S/c1-2-11-10(20)15-7-3-8(13-5-12-7)16-4-9(14-6-16)17(18)19/h3-6H,2H2,1H3,(H2,11,12,13,15,20)
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n/an/a 170n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193953
PNG
(CHEMBL3902947)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(C)Cc2ccccc2)c1
Show InChI InChI=1S/C19H23N7S/c1-3-20-19(27)24-17-9-18(22-13-21-17)26-12-16(23-14-26)11-25(2)10-15-7-5-4-6-8-15/h4-9,12-14H,3,10-11H2,1-2H3,(H2,20,21,22,24,27)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50194135
PNG
(CHEMBL3890610)
Show SMILES CCCN(CCC)Cc1cn(cn1)-c1cc(NC(=S)NCC)ncn1
Show InChI InChI=1S/C17H27N7S/c1-4-7-23(8-5-2)10-14-11-24(13-21-14)16-9-15(19-12-20-16)22-17(25)18-6-3/h9,11-13H,4-8,10H2,1-3H3,(H2,18,19,20,22,25)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50194133
PNG
(CHEMBL3899575)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CNC)c1
Show InChI InChI=1S/C12H17N7S/c1-3-14-12(20)18-10-4-11(16-7-15-10)19-6-9(5-13-2)17-8-19/h4,6-8,13H,3,5H2,1-2H3,(H2,14,15,16,18,20)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193951
PNG
(CHEMBL3913063)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CNCc2ccccc2)c1
Show InChI InChI=1S/C18H21N7S/c1-2-20-18(26)24-16-8-17(22-12-21-16)25-11-15(23-13-25)10-19-9-14-6-4-3-5-7-14/h3-8,11-13,19H,2,9-10H2,1H3,(H2,20,21,22,24,26)
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n/an/a 274n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193954
PNG
(CHEMBL3922318)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CN2CCOCC2)c1
Show InChI InChI=1S/C15H21N7OS/c1-2-16-15(24)20-13-7-14(18-10-17-13)22-9-12(19-11-22)8-21-3-5-23-6-4-21/h7,9-11H,2-6,8H2,1H3,(H2,16,17,18,20,24)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193949
PNG
(CHEMBL3936570)
Show SMILES CCNCc1cn(cn1)-c1cc(NC(=S)NCC)ncn1
Show InChI InChI=1S/C13H19N7S/c1-3-14-6-10-7-20(9-18-10)12-5-11(16-8-17-12)19-13(21)15-4-2/h5,7-9,14H,3-4,6H2,1-2H3,(H2,15,16,17,19,21)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193947
PNG
(CHEMBL3924384)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(c1)C(=O)OC
Show InChI InChI=1S/C12H14N6O2S/c1-3-13-12(21)17-9-4-10(15-6-14-9)18-5-8(16-7-18)11(19)20-2/h4-7H,3H2,1-2H3,(H2,13,14,15,17,21)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193950
PNG
(CHEMBL3908629)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CNC2CCCCC2)c1
Show InChI InChI=1S/C17H25N7S/c1-2-18-17(25)23-15-8-16(21-11-20-15)24-10-14(22-12-24)9-19-13-6-4-3-5-7-13/h8,10-13,19H,2-7,9H2,1H3,(H2,18,20,21,23,25)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193964
PNG
(CHEMBL3951032)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(Cl)c1
Show InChI InChI=1S/C10H11ClN6S/c1-2-12-10(18)16-8-3-9(14-5-13-8)17-4-7(11)15-6-17/h3-6H,2H2,1H3,(H2,12,13,14,16,18)
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East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193965
PNG
(CHEMBL3913973)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(I)c1
Show InChI InChI=1S/C10H11IN6S/c1-2-12-10(18)16-8-3-9(14-5-13-8)17-4-7(11)15-6-17/h3-6H,2H2,1H3,(H2,12,13,14,16,18)
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n/an/a 636n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193941
PNG
(CHEMBL3905312)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(c1)C(F)(F)F
Show InChI InChI=1S/C11H11F3N6S/c1-2-15-10(21)19-8-3-9(17-5-16-8)20-4-7(18-6-20)11(12,13)14/h3-6H,2H2,1H3,(H2,15,16,17,19,21)
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n/an/a 957n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50194132
PNG
(CHEMBL3914299)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(Br)c1
Show InChI InChI=1S/C10H11BrN6S/c1-2-12-10(18)16-8-3-9(14-5-13-8)17-4-7(11)15-6-17/h3-6H,2H2,1H3,(H2,12,13,14,16,18)
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n/an/a 975n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193948
PNG
(CHEMBL3927597)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(CO)c1
Show InChI InChI=1S/C11H14N6OS/c1-2-12-11(19)16-9-3-10(14-6-13-9)17-4-8(5-18)15-7-17/h3-4,6-7,18H,2,5H2,1H3,(H2,12,13,14,16,19)
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n/an/a 995n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193958
PNG
(CHEMBL3957576)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cncn1
Show InChI InChI=1S/C9H11N7S/c1-2-11-9(17)15-7-3-8(13-5-12-7)16-6-10-4-14-16/h3-6H,2H2,1H3,(H2,11,12,13,15,17)
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n/an/a 1.05E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193963
PNG
(CHEMBL3968593)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1ccnc1
Show InChI InChI=1S/C10H12N6S/c1-2-12-10(17)15-8-5-9(14-6-13-8)16-4-3-11-7-16/h3-7H,2H2,1H3,(H2,12,13,14,15,17)
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n/an/a 1.59E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193946
PNG
(CHEMBL3923301)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc(C)c1
Show InChI InChI=1S/C11H14N6S/c1-3-12-11(18)16-9-4-10(14-6-13-9)17-5-8(2)15-7-17/h4-7H,3H2,1-2H3,(H2,12,13,14,16,18)
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n/an/a 3.25E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193967
PNG
(CHEMBL3968359)
Show SMILES CCNC(=S)Nc1cc(ncn1)N1CCN(C)CC1
Show InChI InChI=1S/C12H20N6S/c1-3-13-12(19)16-10-8-11(15-9-14-10)18-6-4-17(2)5-7-18/h8-9H,3-7H2,1-2H3,(H2,13,14,15,16,19)
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n/an/a 3.26E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193945
PNG
(CHEMBL3932250)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1ccnc1C
Show InChI InChI=1S/C11H14N6S/c1-3-12-11(18)16-9-6-10(15-7-14-9)17-5-4-13-8(17)2/h4-7H,3H2,1-2H3,(H2,12,14,15,16,18)
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n/an/a 6.10E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50194131
PNG
(CHEMBL3959753)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1ccnc1CC
Show InChI InChI=1S/C12H16N6S/c1-3-10-14-5-6-18(10)11-7-9(15-8-16-11)17-12(19)13-4-2/h5-8H,3-4H2,1-2H3,(H2,13,15,16,17,19)
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n/an/a 6.70E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193827
PNG
(CHEMBL3929801)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cnc2ccccc12
Show InChI InChI=1S/C14H14N6S/c1-2-15-14(21)19-12-7-13(17-8-16-12)20-9-18-10-5-3-4-6-11(10)20/h3-9H,2H2,1H3,(H2,15,16,17,19,21)
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n/an/a 7.84E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193939
PNG
(CHEMBL3908190)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cccn1
Show InChI InChI=1S/C10H12N6S/c1-2-11-10(17)15-8-6-9(13-7-12-8)16-5-3-4-14-16/h3-7H,2H2,1H3,(H2,11,12,13,15,17)
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n/an/a 8.14E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193943
PNG
(CHEMBL3967398)
Show SMILES CCNC(=S)Nc1nccc(n1)-n1ccnc1
Show InChI InChI=1S/C10H12N6S/c1-2-12-10(17)15-9-13-4-3-8(14-9)16-6-5-11-7-16/h3-7H,2H2,1H3,(H2,12,13,14,15,17)
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n/an/a 8.45E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193960
PNG
(CHEMBL3976889)
Show SMILES CCNC(=S)Nc1cc(nc(C)n1)-n1ccnc1
Show InChI InChI=1S/C11H14N6S/c1-3-13-11(18)16-9-6-10(15-8(2)14-9)17-5-4-12-7-17/h4-7H,3H2,1-2H3,(H2,13,14,15,16,18)
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n/an/a 8.72E+3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193968
PNG
(CHEMBL3986277)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1ccnn1
Show InChI InChI=1S/C9H11N7S/c1-2-10-9(17)14-7-5-8(12-6-11-7)16-4-3-13-15-16/h3-6H,2H2,1H3,(H2,10,11,12,14,17)
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n/an/a 1.44E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193826
PNG
(CHEMBL3951742)
Show SMILES CCCNC(=S)Nc1cc(ncn1)-n1cccn1
Show InChI InChI=1S/C11H14N6S/c1-2-4-12-11(18)16-9-7-10(14-8-13-9)17-6-3-5-15-17/h3,5-8H,2,4H2,1H3,(H2,12,13,14,16,18)
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n/an/a 2.20E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193942
PNG
(CHEMBL3938813)
Show SMILES CCNC(=S)Nc1cc(ncn1)N1CCOCC1
Show InChI InChI=1S/C11H17N5OS/c1-2-12-11(18)15-9-7-10(14-8-13-9)16-3-5-17-6-4-16/h7-8H,2-6H2,1H3,(H2,12,13,14,15,18)
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n/an/a 2.32E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193956
PNG
(CHEMBL3896380)
Show SMILES CCCCNC(=S)Nc1cc(ncn1)-n1cccn1
Show InChI InChI=1S/C12H16N6S/c1-2-3-5-13-12(19)17-10-8-11(15-9-14-10)18-7-4-6-16-18/h4,6-9H,2-3,5H2,1H3,(H2,13,14,15,17,19)
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n/an/a 2.34E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193966
PNG
(CHEMBL3983193)
Show SMILES CCNC(=S)Nc1ccnc(n1)-n1ccnc1
Show InChI InChI=1S/C10H12N6S/c1-2-12-10(17)15-8-3-4-13-9(14-8)16-6-5-11-7-16/h3-7H,2H2,1H3,(H2,12,13,14,15,17)
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n/an/a>4.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50194020
PNG
(CHEMBL3947606)
Show SMILES CCNC(=S)Nc1cc(NCc2ccccc2)ncn1
Show InChI InChI=1S/C14H17N5S/c1-2-15-14(20)19-13-8-12(17-10-18-13)16-9-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H3,15,16,17,18,19,20)
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n/an/a>4.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193959
PNG
(CHEMBL3957363)
Show SMILES CCNC(=S)Nc1cc(ncn1)N1CCCC1
Show InChI InChI=1S/C11H17N5S/c1-2-12-11(17)15-9-7-10(14-8-13-9)16-5-3-4-6-16/h7-8H,2-6H2,1H3,(H2,12,13,14,15,17)
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n/an/a>4.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193957
PNG
(CHEMBL3937524)
Show SMILES CCNC(=S)Nc1cc(ncn1)-n1cccc1
Show InChI InChI=1S/C11H13N5S/c1-2-12-11(17)15-9-7-10(14-8-13-9)16-5-3-4-6-16/h3-8H,2H2,1H3,(H2,12,13,14,15,17)
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n/an/a>4.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193828
PNG
(CHEMBL3956303)
Show SMILES CCNC(=S)Nc1ncnc(c1C)-n1ccnc1
Show InChI InChI=1S/C11H14N6S/c1-3-13-11(18)16-9-8(2)10(15-6-14-9)17-5-4-12-7-17/h4-7H,3H2,1-2H3,(H2,13,14,15,16,18)
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n/an/a>4.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))		BDBM50193944
PNG
(CHEMBL3896159)
Show SMILES CCNC(=S)Nc1nc2CCCc2c(n1)-n1ccnc1
Show InChI InChI=1S/C13H16N6S/c1-2-15-13(20)18-12-16-10-5-3-4-9(10)11(17-12)19-7-6-14-8-19/h6-8H,2-5H2,1H3,(H2,15,16,17,18,20)
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n/an/a>4.00E+4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of rat cortex AChE using acetylthiocholine iodide as substrate measured after 20 mins by Ellman's method

J Med Chem 59: 8326-44 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00636
BindingDB Entry DOI: 10.7270/Q24T6MBB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%