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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50031166   
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
Cholinesterase


(Homo sapiens (Human))
BDBM50308418
PNG
(CHEMBL605824 | N-[2-(N',N'-diisopropylamin...)
Show SMILES CC(C)N(CCNC(=O)N1c2ccccc2Sc2ccccc12)C(C)C
Show InChI InChI=1S/C21H27N3OS/c1-15(2)23(16(3)4)14-13-22-21(25)24-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)24/h5-12,15-16H,13-14H2,1-4H3,(H,22,25)
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9n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308420
PNG
(CHEMBL589563 | N-[2-(Piperidinyl)ethyl]-10H-phenot...)
Show SMILES O=C(NCCN1CCCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H23N3OS/c24-20(21-12-15-22-13-6-1-7-14-22)23-16-8-2-4-10-18(16)25-19-11-5-3-9-17(19)23/h2-5,8-11H,1,6-7,12-15H2,(H,21,24)
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20n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308409
PNG
(CHEMBL592673 | N-(Naphthalen-1-ylmethyl)-1'H-pheno...)
Show SMILES O=C(NCc1cccc2ccccc12)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C24H18N2OS/c27-24(25-16-18-10-7-9-17-8-1-2-11-19(17)18)26-20-12-3-5-14-22(20)28-23-15-6-4-13-21(23)26/h1-15H,16H2,(H,25,27)
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150n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308413
PNG
(CHEMBL588172 | N,N-Diisopropyl-1'H-phenothiazine-1...)
Show SMILES CC(C)N(C(C)C)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H22N2OS/c1-13(2)20(14(3)4)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-14H,1-4H3
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180n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308408
PNG
(CHEMBL602314 | N-(2-Phenylethyl)-1'H-phenothiazine...)
Show SMILES O=C(NCCc1ccccc1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C21H18N2OS/c24-21(22-15-14-16-8-2-1-3-9-16)23-17-10-4-6-12-19(17)25-20-13-7-5-11-18(20)23/h1-13H,14-15H2,(H,22,24)
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190n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308419
PNG
(CHEMBL589536 | N-[2-(Pyrrolidinyl)ethyl]-10H-pheno...)
Show SMILES O=C(NCCN1CCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H21N3OS/c23-19(20-11-14-21-12-5-6-13-21)22-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)22/h1-4,7-10H,5-6,11-14H2,(H,20,23)
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210n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308424
PNG
(CHEMBL589805 | N-(3-(Methyl(phenyl)amino)propyl)-1...)
Show SMILES CN(CCCNC(=O)N1c2ccccc2Sc2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H23N3OS/c1-25(18-10-3-2-4-11-18)17-9-16-24-23(27)26-19-12-5-7-14-21(19)28-22-15-8-6-13-20(22)26/h2-8,10-15H,9,16-17H2,1H3,(H,24,27)
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250n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308402
PNG
(CHEMBL590537 | N-Phenyl-1'H-phenothiazine-1'-carbo...)
Show SMILES O=C(Nc1ccccc1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H14N2OS/c22-19(20-14-8-2-1-3-9-14)21-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)21/h1-13H,(H,20,22)
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310n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308401
PNG
(CHEMBL591468 | N-(Adamant-1-yl)-1'H-phenothiazine-...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)N1c2ccccc2Sc2ccccc12 |TLB:6:7:4.5.10:11,THB:6:5:11:12.7.8,8:7:4:10.9.11,8:9:4:12.6.7|
Show InChI InChI=1S/C23H24N2OS/c26-22(24-23-12-15-9-16(13-23)11-17(10-15)14-23)25-18-5-1-3-7-20(18)27-21-8-4-2-6-19(21)25/h1-8,15-17H,9-14H2,(H,24,26)
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350n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308412
PNG
(CHEMBL589063 | N,N-Dipropyl-1'H-phenothiazine-1'-c...)
Show SMILES CCCN(CCC)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H22N2OS/c1-3-13-20(14-4-2)19(22)21-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3
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430n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308417
PNG
(CHEMBL601282 | N-[2-(N',N'-Diethylamino)ethyl]-1'H...)
Show SMILES CCN(CC)CCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H23N3OS/c1-3-21(4-2)14-13-20-19(23)22-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)22/h5-12H,3-4,13-14H2,1-2H3,(H,20,23)
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510n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308414
PNG
((1'H-Phenothiazin-1'-yl)(pyrrolidin-1-yl)methanone...)
Show SMILES O=C(N1CCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H16N2OS/c20-17(18-11-5-6-12-18)19-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)19/h1-4,7-10H,5-6,11-12H2
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560n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308420
PNG
(CHEMBL589563 | N-[2-(Piperidinyl)ethyl]-10H-phenot...)
Show SMILES O=C(NCCN1CCCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H23N3OS/c24-20(21-12-15-22-13-6-1-7-14-22)23-16-8-2-4-10-18(16)25-19-11-5-3-9-17(19)23/h2-5,8-11H,1,6-7,12-15H2,(H,21,24)
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620n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308406
PNG
(CHEMBL600460 | N-o-Tolyl-1'H-phenothiazine-1'-carb...)
Show SMILES Cc1ccccc1NC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H16N2OS/c1-14-8-2-3-9-15(14)21-20(23)22-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)22/h2-13H,1H3,(H,21,23)
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710n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308418
PNG
(CHEMBL605824 | N-[2-(N',N'-diisopropylamin...)
Show SMILES CC(C)N(CCNC(=O)N1c2ccccc2Sc2ccccc12)C(C)C
Show InChI InChI=1S/C21H27N3OS/c1-15(2)23(16(3)4)14-13-22-21(25)24-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)24/h5-12,15-16H,13-14H2,1-4H3,(H,22,25)
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810n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308411
PNG
(CHEMBL589062 | N,N-Diethyl-1'H-phenothiazine-1'-ca...)
Show SMILES CCN(CC)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H18N2OS/c1-3-18(4-2)17(20)19-13-9-5-7-11-15(13)21-16-12-8-6-10-14(16)19/h5-12H,3-4H2,1-2H3
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1.05E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308415
PNG
((1'H-Phenothiazin-1'-yl)(piperidin-1-yl)methanone ...)
Show SMILES O=C(N1CCCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C18H18N2OS/c21-18(19-12-6-1-7-13-19)20-14-8-2-4-10-16(14)22-17-11-5-3-9-15(17)20/h2-5,8-11H,1,6-7,12-13H2
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1.56E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308432
PNG
(CHEMBL592432 | N-Neopentyl-1'H-phenothiazine-1'-ca...)
Show SMILES CC(C)(C)CNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C18H20N2OS/c1-18(2,3)12-19-17(21)20-13-8-4-6-10-15(13)22-16-11-7-5-9-14(16)20/h4-11H,12H2,1-3H3,(H,19,21)
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2.66E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308400
PNG
(CHEMBL591234 | N-Cyclohexyl-1'H-phenothiazine-1'-c...)
Show SMILES O=C(NC1CCCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H20N2OS/c22-19(20-14-8-2-1-3-9-14)21-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)21/h4-7,10-14H,1-3,8-9H2,(H,20,22)
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2.81E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308399
PNG
(CHEMBL601297 | N-Cyclopentyl-1'H-phenothiazine-1'-...)
Show SMILES O=C(NC1CCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C18H18N2OS/c21-18(19-13-7-1-2-8-13)20-14-9-3-5-11-16(14)22-17-12-6-4-10-15(17)20/h3-6,9-13H,1-2,7-8H2,(H,19,21)
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2.99E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308429
PNG
(CHEMBL592185 | N-Isopropyl-1'H-phenothiazine-1'-ca...)
Show SMILES CC(C)NC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C16H16N2OS/c1-11(2)17-16(19)18-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)18/h3-11H,1-2H3,(H,17,19)
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3.41E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308407
PNG
(CHEMBL589078 | N-Benzyl-1'H-phenothiazine-1'-carbo...)
Show SMILES O=C(NCc1ccccc1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H16N2OS/c23-20(21-14-15-8-2-1-3-9-15)22-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)22/h1-13H,14H2,(H,21,23)
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4.45E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308405
PNG
(CHEMBL590779 | N-(4-Chlorophenyl)-1'H-phenothiazin...)
Show SMILES Clc1ccc(NC(=O)N2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C19H13ClN2OS/c20-13-9-11-14(12-10-13)21-19(23)22-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)22/h1-12H,(H,21,23)
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4.69E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308421
PNG
(CHEMBL589564 | N-(2-Morpholinoethyl)-10H-phenothia...)
Show SMILES O=C(NCCN1CCOCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H21N3O2S/c23-19(20-9-10-21-11-13-24-14-12-21)22-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)22/h1-8H,9-14H2,(H,20,23)
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6.91E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308416
PNG
(CHEMBL590511 | Morpholino(1'H-phenothiazin-1'-yl)m...)
Show SMILES O=C(N1CCOCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H16N2O2S/c20-17(18-9-11-21-12-10-18)19-13-5-1-3-7-15(13)22-16-8-4-2-6-14(16)19/h1-8H,9-12H2
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7.10E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308422
PNG
(CHEMBL589565 | N-(3-Morpholinopropyl)-10H-phenothi...)
Show SMILES O=C(NCCCN1CCOCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H23N3O2S/c24-20(21-10-5-11-22-12-14-25-15-13-22)23-16-6-1-3-8-18(16)26-19-9-4-2-7-17(19)23/h1-4,6-9H,5,10-15H2,(H,21,24)
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7.86E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308410
PNG
(CHEMBL592674 | N,N-Dimethyl-1'H-phenothiazine-1'-c...)
Show SMILES CN(C)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C15H14N2OS/c1-16(2)15(18)17-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)17/h3-10H,1-2H3
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9.20E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308426
PNG
(CHEMBL606338 | N-Methyl-1'H-phenothiazine-1'-carbo...)
Show SMILES CNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C14H12N2OS/c1-15-14(17)16-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)16/h2-9H,1H3,(H,15,17)
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9.36E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308403
PNG
(CHEMBL601920 | N-(4-Methoxyphenyl)-1'H-phenothiazi...)
Show SMILES COc1ccc(NC(=O)N2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C20H16N2O2S/c1-24-15-12-10-14(11-13-15)21-20(23)22-16-6-2-4-8-18(16)25-19-9-5-3-7-17(19)22/h2-13H,1H3,(H,21,23)
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9.63E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308398
PNG
(CHEMBL591233 | N-Cyclobutyl-1'H-phenothiazine-1'-c...)
Show SMILES O=C(NC1CCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H16N2OS/c20-17(18-12-6-5-7-12)19-13-8-1-3-10-15(13)21-16-11-4-2-9-14(16)19/h1-4,8-12H,5-7H2,(H,18,20)
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1.00E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308431
PNG
(CHEMBL592431 | N-tert-Butyl-1'H-phenothiazine-1'-c...)
Show SMILES CC(C)(C)NC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H18N2OS/c1-17(2,3)18-16(20)19-12-8-4-6-10-14(12)21-15-11-7-5-9-13(15)19/h4-11H,1-3H3,(H,18,20)
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1.06E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308404
PNG
(CHEMBL590538 | N-p-Tolyl-1'H-phenothiazine-1'-carb...)
Show SMILES Cc1ccc(NC(=O)N2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C20H16N2OS/c1-14-10-12-15(13-11-14)21-20(23)22-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)22/h2-13H,1H3,(H,21,23)
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1.21E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308417
PNG
(CHEMBL601282 | N-[2-(N',N'-Diethylamino)ethyl]-1'H...)
Show SMILES CCN(CC)CCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H23N3OS/c1-3-21(4-2)14-13-20-19(23)22-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)22/h5-12H,3-4,13-14H2,1-2H3,(H,20,23)
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1.63E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308423
PNG
((4-Methylpiperazin-1-yl)(10H-phenothiazin-10-yl)me...)
Show SMILES CN1CCN(CC1)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C18H19N3OS/c1-19-10-12-20(13-11-19)18(22)21-14-6-2-4-8-16(14)23-17-9-5-3-7-15(17)21/h2-9H,10-13H2,1H3
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1.71E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308426
PNG
(CHEMBL606338 | N-Methyl-1'H-phenothiazine-1'-carbo...)
Show SMILES CNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C14H12N2OS/c1-15-14(17)16-10-6-2-4-8-12(10)18-13-9-5-3-7-11(13)16/h2-9H,1H3,(H,15,17)
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1.83E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308428
PNG
(CHEMBL589789 | N-Propyl-1'H-phenothiazine-1'-carbo...)
Show SMILES CCCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C16H16N2OS/c1-2-11-17-16(19)18-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)18/h3-10H,2,11H2,1H3,(H,17,19)
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2.05E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308430
PNG
(CHEMBL592430 | N-Butyl-1'H-phenothiazine-1'-carbox...)
Show SMILES CCCCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H18N2OS/c1-2-3-12-18-17(20)19-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)19/h4-11H,2-3,12H2,1H3,(H,18,20)
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2.47E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308433
PNG
(CHEMBL604046 | N-(2-Methoxyethyl)-1'H-phenothiazin...)
Show SMILES COCCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C16H16N2O2S/c1-20-11-10-17-16(19)18-12-6-2-4-8-14(12)21-15-9-5-3-7-13(15)18/h2-9H,10-11H2,1H3,(H,17,19)
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2.91E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308419
PNG
(CHEMBL589536 | N-[2-(Pyrrolidinyl)ethyl]-10H-pheno...)
Show SMILES O=C(NCCN1CCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H21N3OS/c23-19(20-11-14-21-12-5-6-13-21)22-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)22/h1-4,7-10H,5-6,11-14H2,(H,20,23)
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2.94E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308427
PNG
(CHEMBL600230 | N-Ethyl-1'H-phenothiazine-1'-carbox...)
Show SMILES CCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C15H14N2OS/c1-2-16-15(18)17-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)17/h3-10H,2H2,1H3,(H,16,18)
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3.50E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308434
PNG
(CHEMBL591232 | N-Cyclopropyl-1'H-phenothiazine-1'-...)
Show SMILES O=C(NC1CC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C16H14N2OS/c19-16(17-11-9-10-11)18-12-5-1-3-7-14(12)20-15-8-4-2-6-13(15)18/h1-8,11H,9-10H2,(H,17,19)
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4.25E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308425
PNG
(CHEMBL590298 | Phenothiazine-1'-carboxamide)
Show SMILES NC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C13H10N2OS/c14-13(16)15-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)15/h1-8H,(H2,14,16)
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8.93E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50308425
PNG
(CHEMBL590298 | Phenothiazine-1'-carboxamide)
Show SMILES NC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C13H10N2OS/c14-13(16)15-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)15/h1-8H,(H2,14,16)
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9.08E+4n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308410
PNG
(CHEMBL592674 | N,N-Dimethyl-1'H-phenothiazine-1'-c...)
Show SMILES CN(C)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C15H14N2OS/c1-16(2)15(18)17-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)17/h3-10H,1-2H3
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4.00E+5n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308429
PNG
(CHEMBL592185 | N-Isopropyl-1'H-phenothiazine-1'-ca...)
Show SMILES CC(C)NC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C16H16N2OS/c1-11(2)17-16(19)18-12-7-3-5-9-14(12)20-15-10-6-4-8-13(15)18/h3-11H,1-2H3,(H,17,19)
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6.91E+5n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50308427
PNG
(CHEMBL600230 | N-Ethyl-1'H-phenothiazine-1'-carbox...)
Show SMILES CCNC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C15H14N2OS/c1-2-16-15(18)17-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)17/h3-10H,2H2,1H3,(H,16,18)
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1.45E+6n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE by modified Ellman's spectrophotometric method


Bioorg Med Chem 18: 2232-44 (2010)


Article DOI: 10.1016/j.bmc.2010.01.066
BindingDB Entry DOI: 10.7270/Q21C1X08
More data for this
Ligand-Target Pair