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Compile Data Set for Download or QSAR

Found 229 hits from Dalhousie University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterase


(Homo sapiens (human))
BDBM50219206
PNG
(Anthracen-9-yl (10H-phenothiazine-10yl) methanone,...)
Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H
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3.5n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
More data for this
Ligand-Target Pair
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))
BDBM50219206
PNG
(Anthracen-9-yl (10H-phenothiazine-10yl) methanone,...)
Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H
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16n/an/an/an/an/an/an/an/a



Dalhousie University



Assay Description
Inhibition constant using AChE or BuChE.


Biochemistry 51: 7046-53 (2012)


Article DOI: 10.1021/bi300955k
BindingDB Entry DOI: 10.7270/Q2J101R6
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))
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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21n/an/an/an/an/an/an/an/a



Dalhousie University



Assay Description
Inhibition constant using AChE or BuChE.


Biochemistry 51: 7046-53 (2012)


Article DOI: 10.1021/bi300955k
BindingDB Entry DOI: 10.7270/Q2J101R6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50219208
PNG
(2-(naphthalen-2-yl)-1-(10H-phenothiazin-10-yl)etha...)
Show SMILES O=C(Cc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C24H17NOS/c26-24(16-17-13-14-18-7-1-2-8-19(18)15-17)25-20-9-3-5-11-22(20)27-23-12-6-4-10-21(23)25/h1-15H,16H2
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28n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50292603
PNG
(2-(pyrrolidin-1-yl)ethyl 10H-phenothiazine-10-carb...)
Show SMILES O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-19(23-14-13-20-11-5-6-12-20)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21/h1-4,7-10H,5-6,11-14H2
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29n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor (unknown origin) by PDSP assay


Bioorg Med Chem Lett 23: 3822-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.082
BindingDB Entry DOI: 10.7270/Q2H133DC
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50292622
PNG
(CHEMBL451838 | naphthalen-1-yl 10H-phenothiazine-1...)
Show SMILES O=C(Oc1cccc2ccccc12)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C23H15NO2S/c25-23(26-20-13-7-9-16-8-1-2-10-17(16)20)24-18-11-3-5-14-21(18)27-22-15-6-4-12-19(22)24/h1-15H
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36n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human serum BchE by Ellman's assay


J Med Chem 51: 4200-12 (2008)


Article DOI: 10.1021/jm8002075
BindingDB Entry DOI: 10.7270/Q24J0DXF
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50219224
PNG
(CHEMBL240899 | naphthalen-1-yl(10H-phenothiazin-10...)
Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C23H15NOS/c25-23(18-11-7-9-16-8-1-2-10-17(16)18)24-19-12-3-5-14-21(19)26-22-15-6-4-13-20(22)24/h1-15H
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88n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50219226
PNG
(2-(naphthalen-1-yl)-1-(10H-phenothiazin-10-yl)etha...)
Show SMILES O=C(Cc1cccc2ccccc12)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C24H17NOS/c26-24(16-18-10-7-9-17-8-1-2-11-19(17)18)25-20-12-3-5-14-22(20)27-23-15-6-4-13-21(23)25/h1-15H,16H2
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90n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50292621
PNG
(CHEMBL518302 | naphthalen-2-yl 10H-phenothiazine-1...)
Show SMILES O=C(Oc1ccc2ccccc2c1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C23H15NO2S/c25-23(26-18-14-13-16-7-1-2-8-17(16)15-18)24-19-9-3-5-11-21(19)27-22-12-6-4-10-20(22)24/h1-15H
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120n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human serum BchE by Ellman's assay


J Med Chem 51: 4200-12 (2008)


Article DOI: 10.1021/jm8002075
BindingDB Entry DOI: 10.7270/Q24J0DXF
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50292623
PNG
(2-tert-butylphenyl 10H-phenothiazine-10-carboxylat...)
Show SMILES CC(C)(C)c1ccccc1OC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C23H21NO2S/c1-23(2,3)16-10-4-7-13-19(16)26-22(25)24-17-11-5-8-14-20(17)27-21-15-9-6-12-18(21)24/h4-15H,1-3H3
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120n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human serum BchE by Ellman's assay


J Med Chem 51: 4200-12 (2008)


Article DOI: 10.1021/jm8002075
BindingDB Entry DOI: 10.7270/Q24J0DXF
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))
BDBM50219223
PNG
(1-(10H-phenothiazin-10-yl)-4-phenylbutan-1-one | C...)
Show SMILES O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C22H19NOS/c24-22(16-8-11-17-9-2-1-3-10-17)23-18-12-4-6-14-20(18)25-21-15-7-5-13-19(21)23/h1-7,9-10,12-15H,8,11,16H2
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220n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50219218
PNG
(1,2-di(10H-phenothiazin-10-yl)ethane-1,2-dione | C...)
Show SMILES O=C(N1c2ccccc2Sc2ccccc12)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C26H16N2O2S2/c29-25(27-17-9-1-5-13-21(17)31-22-14-6-2-10-18(22)27)26(30)28-19-11-3-7-15-23(19)32-24-16-8-4-12-20(24)28/h1-16H
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220n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
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))
BDBM50292616
PNG
(2-methoxyphenyl 10H-phenothiazine-10-carboxylate |...)
Show SMILES COc1ccccc1OC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H15NO3S/c1-23-16-10-4-5-11-17(16)24-20(22)21-14-8-2-6-12-18(14)25-19-13-7-3-9-15(19)21/h2-13H,1H3
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340n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human serum BchE by Ellman's assay


J Med Chem 51: 4200-12 (2008)


Article DOI: 10.1021/jm8002075
BindingDB Entry DOI: 10.7270/Q24J0DXF
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
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))
BDBM50292619
PNG
(CHEMBL481688 | o-tolyl 10H-phenothiazine-10-carbox...)
Show SMILES Cc1ccccc1OC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H15NO2S/c1-14-8-2-5-11-17(14)23-20(22)21-15-9-3-6-12-18(15)24-19-13-7-4-10-16(19)21/h2-13H,1H3
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390n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human serum BchE by Ellman's assay


J Med Chem 51: 4200-12 (2008)


Article DOI: 10.1021/jm8002075
BindingDB Entry DOI: 10.7270/Q24J0DXF
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50219228
PNG
(1-(10H-phenothiazin-10-yl)-2-phenylbutan-1-one | C...)
Show SMILES CCC(C(=O)N1c2ccccc2Sc2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H19NOS/c1-2-17(16-10-4-3-5-11-16)22(24)23-18-12-6-8-14-20(18)25-21-15-9-7-13-19(21)23/h3-15,17H,2H2,1H3
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400n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
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
Histamine H1 receptor


(Homo sapiens (human))
BDBM50292604
PNG
(3-(diethylamino)propyl 10H-phenothiazine-10-carbox...)
Show SMILES CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H24N2O2S/c1-3-21(4-2)14-9-15-24-20(23)22-16-10-5-7-12-18(16)25-19-13-8-6-11-17(19)22/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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430n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor (unknown origin) by PDSP assay


Bioorg Med Chem Lett 23: 3822-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.082
BindingDB Entry DOI: 10.7270/Q2H133DC
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50219210
PNG
(CHEMBL240900 | naphthalen-2-yl(10H-phenothiazin-10...)
Show SMILES O=C(N1c2ccccc2Sc2ccccc12)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H15NOS/c25-23(18-14-13-16-7-1-2-8-17(16)15-18)24-19-9-3-5-11-21(19)26-22-12-6-4-10-20(22)24/h1-15H
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470n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
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
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50292603
PNG
(2-(pyrrolidin-1-yl)ethyl 10H-phenothiazine-10-carb...)
Show SMILES O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-19(23-14-13-20-11-5-6-12-20)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21/h1-4,7-10H,5-6,11-14H2
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540n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor (unknown origin) by PDSP assay


Bioorg Med Chem Lett 23: 3822-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.082
BindingDB Entry DOI: 10.7270/Q2H133DC
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50219222
PNG
(1-(10H-phenothiazin-10-yl)-2-phenylpropan-1-one | ...)
Show SMILES CC(C(=O)N1c2ccccc2Sc2ccccc12)c1ccccc1
Show InChI InChI=1S/C21H17NOS/c1-15(16-9-3-2-4-10-16)21(23)22-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)22/h2-15H,1H3
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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 activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
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
Cholinesterase


(Homo sapiens (human))
BDBM50292626
PNG
(3-chlorophenyl 10H-phenothiazine-10-carboxylate | ...)
Show SMILES Clc1cccc(OC(=O)N2c3ccccc3Sc3ccccc23)c1
Show InChI InChI=1S/C19H12ClNO2S/c20-13-6-5-7-14(12-13)23-19(22)21-15-8-1-3-10-17(15)24-18-11-4-2-9-16(18)21/h1-12H
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570n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human serum BchE by Ellman's assay


J Med Chem 51: 4200-12 (2008)


Article DOI: 10.1021/jm8002075
BindingDB Entry DOI: 10.7270/Q24J0DXF
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50292620
PNG
(CHEMBL481687 | phenyl 10H-phenothiazine-10-carboxy...)
Show SMILES O=C(Oc1ccccc1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H13NO2S/c21-19(22-14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)20/h1-13H
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570n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human serum BchE by Ellman's assay


J Med Chem 51: 4200-12 (2008)


Article DOI: 10.1021/jm8002075
BindingDB Entry DOI: 10.7270/Q24J0DXF
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50219221
PNG
((3-bromophenyl)(10H-phenothiazin-10-yl)methanone |...)
Show SMILES Brc1cccc(c1)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H12BrNOS/c20-14-7-5-6-13(12-14)19(22)21-15-8-1-3-10-17(15)23-18-11-4-2-9-16(18)21/h1-12H
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600n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50219227
PNG
(1-(10H-phenothiazin-10-yl)-2-phenylethanone | CHEM...)
Show SMILES O=C(Cc1ccccc1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H15NOS/c22-20(14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h1-13H,14H2
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610n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50292605
PNG
(2-(diethylamino)ethyl 10H-phenothiazine-10-carboxy...)
Show SMILES CCN(CC)CCOC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H22N2O2S/c1-3-20(4-2)13-14-23-19(22)21-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3
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610n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human serum BchE by Ellman's assay


J Med Chem 51: 4200-12 (2008)


Article DOI: 10.1021/jm8002075
BindingDB Entry DOI: 10.7270/Q24J0DXF
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))
BDBM50292603
PNG
(2-(pyrrolidin-1-yl)ethyl 10H-phenothiazine-10-carb...)
Show SMILES O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-19(23-14-13-20-11-5-6-12-20)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21/h1-4,7-10H,5-6,11-14H2
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650n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human serum BchE by Ellman's assay


J Med Chem 51: 4200-12 (2008)


Article DOI: 10.1021/jm8002075
BindingDB Entry DOI: 10.7270/Q24J0DXF
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50292615
PNG
(3-methoxyphenyl 10H-phenothiazine-10-carboxylate |...)
Show SMILES COc1cccc(OC(=O)N2c3ccccc3Sc3ccccc23)c1
Show InChI InChI=1S/C20H15NO3S/c1-23-14-7-6-8-15(13-14)24-20(22)21-16-9-2-4-11-18(16)25-19-12-5-3-10-17(19)21/h2-13H,1H3
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710n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human serum BchE by Ellman's assay


J Med Chem 51: 4200-12 (2008)


Article DOI: 10.1021/jm8002075
BindingDB Entry DOI: 10.7270/Q24J0DXF
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
Cholinesterase


(Homo sapiens (human))
BDBM50292604
PNG
(3-(diethylamino)propyl 10H-phenothiazine-10-carbox...)
Show SMILES CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H24N2O2S/c1-3-21(4-2)14-9-15-24-20(23)22-16-10-5-7-12-18(16)25-19-13-8-6-11-17(19)22/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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740n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human serum BchE by Ellman's assay


J Med Chem 51: 4200-12 (2008)


Article DOI: 10.1021/jm8002075
BindingDB Entry DOI: 10.7270/Q24J0DXF
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))
BDBM50219213
PNG
((4-nitrophenyl)(10H-phenothiazin-10-yl)methanone |...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H12N2O3S/c22-19(13-9-11-14(12-10-13)21(23)24)20-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)20/h1-12H
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820n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM120262
PNG
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)
Show SMILES CC[N+](C)(C)c1cccc(O)c1
Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
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1.01E+3n/an/an/an/an/an/an/an/a



Dalhousie University



Assay Description
Inhibition constant using AChE or BuChE.


Biochemistry 51: 7046-53 (2012)


Article DOI: 10.1021/bi300955k
BindingDB Entry DOI: 10.7270/Q2J101R6
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
Mandelate racemase


(Pseudomonas putida (g-Proteobacteria))
BDBM50129061
PNG
((R)-Hydroxy-phenyl-methanephosphonic acid anion | ...)
Show SMILES OP(O)([O-])C(=O)c1ccccc1
Show InChI InChI=1S/C7H8O4P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,9-10,12H/q-1
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1.10E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5


Bioorg Med Chem Lett 13: 2041-4 (2003)


Article DOI: 10.1016/s0960-894x(03)00311-1
BindingDB Entry DOI: 10.7270/Q2XP75HB
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50219219
PNG
((4-bromophenyl)(10H-phenothiazin-10-yl)methanone |...)
Show SMILES Brc1ccc(cc1)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H12BrNOS/c20-14-11-9-13(10-12-14)19(22)21-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)21/h1-12H
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1.30E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50292604
PNG
(3-(diethylamino)propyl 10H-phenothiazine-10-carbox...)
Show SMILES CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H24N2O2S/c1-3-21(4-2)14-9-15-24-20(23)22-16-10-5-7-12-18(16)25-19-13-8-6-11-17(19)22/h5-8,10-13H,3-4,9,14-15H2,1-2H3
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1.40E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor (unknown origin) by PDSP assay


Bioorg Med Chem Lett 23: 3822-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.082
BindingDB Entry DOI: 10.7270/Q2H133DC
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50219211
PNG
((4-methoxyphenyl)(10H-phenothiazin-10-yl)methanone...)
Show SMILES COc1ccc(cc1)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H15NO2S/c1-23-15-12-10-14(11-13-15)20(22)21-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)21/h2-13H,1H3
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1.50E+3n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE activity


Bioorg Med Chem 15: 6367-78 (2007)


Article DOI: 10.1016/j.bmc.2007.06.060
BindingDB Entry DOI: 10.7270/Q2NC60XP
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
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