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PubMed code 14711311

Compile data set for download or QSAR
Found 104 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


(Homo sapiens (human))
BDBM50138756
PNG
(CHEMBL335158 | [3-(4-Chloro-phenyl)-5-hexylsulfany...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H27ClN4OS/c1-2-3-4-8-15-27-19-22-18(16-9-11-17(21)12-10-16)23-25(19)20(26)24-13-6-5-7-14-24/h9-12H,2-8,13-15H2,1H3
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n/an/a<10n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138750
PNG
(3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazo...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4OS/c1-16(2)12(18)17-11(19-3)14-10(15-17)8-4-6-9(13)7-5-8/h4-7H,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138752
PNG
(5-Methylsulfanyl-3-((E)-styryl)-[1,2,4]triazole-1-...)
Show SMILES CSc1nc(\C=C\c2ccccc2)nn1C(=O)N(C)C
Show InChI InChI=1S/C14H16N4OS/c1-17(2)14(19)18-13(20-3)15-12(16-18)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138750
PNG
(3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazo...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4OS/c1-16(2)12(18)17-11(19-3)14-10(15-17)8-4-6-9(13)7-5-8/h4-7H,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138739
PNG
(4-tert-Butyl-N-[4-(5-methoxy-2-oxo-[1,3,4]oxadiazo...)
Show SMILES COc1nn(-c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)c(=O)o1
Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)14-7-5-13(6-8-14)17(24)21-15-9-11-16(12-10-15)23-19(25)27-18(22-23)26-4/h5-12H,1-4H3,(H,21,24)
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n/an/a 23n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138745
PNG
((3-(4-chlorophenyl)-5-(methylthio)-1H-1,2,4-triazo...)
Show SMILES CSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H17ClN4OS/c1-22-14-17-13(11-5-7-12(16)8-6-11)18-20(14)15(21)19-9-3-2-4-10-19/h5-8H,2-4,9-10H2,1H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138743
PNG
(5-Methylsulfanyl-3-p-tolyl-[1,2,4]triazole-1-carbo...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(C)cc1
Show InChI InChI=1S/C13H16N4OS/c1-9-5-7-10(8-6-9)11-14-12(19-4)17(15-11)13(18)16(2)3/h5-8H,1-4H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138731
PNG
(3-(4-Chloro-phenyl)-5-ethylsulfanyl-[1,2,4]triazol...)
Show SMILES CCSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN4OS/c1-4-20-12-15-11(9-5-7-10(14)8-6-9)16-18(12)13(19)17(2)3/h5-8H,4H2,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138748
PNG
(5-Methylsulfanyl-3-naphthalen-2-yl-[1,2,4]triazole...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H16N4OS/c1-19(2)16(21)20-15(22-3)17-14(18-20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138731
PNG
(3-(4-Chloro-phenyl)-5-ethylsulfanyl-[1,2,4]triazol...)
Show SMILES CCSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN4OS/c1-4-20-12-15-11(9-5-7-10(14)8-6-9)16-18(12)13(19)17(2)3/h5-8H,4H2,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138742
PNG
(3-(4-Chloro-phenyl)-5-propylsulfanyl-[1,2,4]triazo...)
Show SMILES CCCSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN4OS/c1-4-9-21-13-16-12(10-5-7-11(15)8-6-10)17-19(13)14(20)18(2)3/h5-8H,4,9H2,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138758
PNG
(3-(4-Chloro-phenyl)-5-cyclopropylmethylsulfanyl-[1...)
Show SMILES CN(C(=O)n1nc(nc1SCC1CC1)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C20H19ClN4OS/c1-24(17-5-3-2-4-6-17)20(26)25-19(27-13-14-7-8-14)22-18(23-25)15-9-11-16(21)12-10-15/h2-6,9-12,14H,7-8,13H2,1H3
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n/an/a 62n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138747
PNG
((3-(4-chlorophenyl)-5-(cyclopropylmethylthio)-1H-1...)
Show SMILES Clc1ccc(cc1)-c1nc(SCC2CC2)n(n1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H21ClN4OS/c19-15-8-6-14(7-9-15)16-20-17(25-12-13-4-5-13)23(21-16)18(24)22-10-2-1-3-11-22/h6-9,13H,1-5,10-12H2
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138750
PNG
(3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazo...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4OS/c1-16(2)12(18)17-11(19-3)14-10(15-17)8-4-6-9(13)7-5-8/h4-7H,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138733
PNG
(5-Methylsulfanyl-3-(4-trifluoromethyl-phenyl)-[1,2...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H13F3N4OS/c1-19(2)12(21)20-11(22-3)17-10(18-20)8-4-6-9(7-5-8)13(14,15)16/h4-7H,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138745
PNG
((3-(4-chlorophenyl)-5-(methylthio)-1H-1,2,4-triazo...)
Show SMILES CSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H17ClN4OS/c1-22-14-17-13(11-5-7-12(16)8-6-11)18-20(14)15(21)19-9-3-2-4-10-19/h5-8H,2-4,9-10H2,1H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138742
PNG
(3-(4-Chloro-phenyl)-5-propylsulfanyl-[1,2,4]triazo...)
Show SMILES CCCSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN4OS/c1-4-9-21-13-16-12(10-5-7-11(15)8-6-10)17-19(13)14(20)18(2)3/h5-8H,4,9H2,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138759
PNG
(5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C13H13F3N4O2S/c1-19(2)12(21)20-11(23-3)17-10(18-20)8-4-6-9(7-5-8)22-13(14,15)16/h4-7H,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138761
PNG
(5-Methylsulfanyl-3-p-tolyl-[1,2,4]triazole-1-carbo...)
Show SMILES CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(C)cc1
Show InChI InChI=1S/C18H18N4OS/c1-13-9-11-14(12-10-13)16-19-17(24-3)22(20-16)18(23)21(2)15-7-5-4-6-8-15/h4-12H,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138733
PNG
(5-Methylsulfanyl-3-(4-trifluoromethyl-phenyl)-[1,2...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H13F3N4OS/c1-19(2)12(21)20-11(22-3)17-10(18-20)8-4-6-9(7-5-8)13(14,15)16/h4-7H,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138748
PNG
(5-Methylsulfanyl-3-naphthalen-2-yl-[1,2,4]triazole...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H16N4OS/c1-19(2)16(21)20-15(22-3)17-14(18-20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138749
PNG
(3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazo...)
Show SMILES CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN4OS/c1-21(14-6-4-3-5-7-14)17(23)22-16(24-2)19-15(20-22)12-8-10-13(18)11-9-12/h3-11H,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138737
PNG
(3-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethylsulfan...)
Show SMILES CN(C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C18H14ClF3N4OS/c1-25(14-5-3-2-4-6-14)17(27)26-16(28-11-18(20,21)22)23-15(24-26)12-7-9-13(19)10-8-12/h2-10H,11H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138759
PNG
(5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C13H13F3N4O2S/c1-19(2)12(21)20-11(23-3)17-10(18-20)8-4-6-9(7-5-8)22-13(14,15)16/h4-7H,1-3H3
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n/an/a 200n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138747
PNG
((3-(4-chlorophenyl)-5-(cyclopropylmethylthio)-1H-1...)
Show SMILES Clc1ccc(cc1)-c1nc(SCC2CC2)n(n1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H21ClN4OS/c19-15-8-6-14(7-9-15)16-20-17(25-12-13-4-5-13)23(21-16)18(24)22-10-2-1-3-11-22/h6-9,13H,1-5,10-12H2
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138738
PNG
(5-(hexylthio)-N,N-dimethyl-3-p-tolyl-1H-1,2,4-tria...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N(C)C)-c1ccc(C)cc1
Show InChI InChI=1S/C18H26N4OS/c1-5-6-7-8-13-24-17-19-16(15-11-9-14(2)10-12-15)20-22(17)18(23)21(3)4/h9-12H,5-8,13H2,1-4H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138732
PNG
(3-p-Tolyl-5-(2,2,2-trifluoro-ethylsulfanyl)-[1,2,4...)
Show SMILES CN(C)C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(C)cc1
Show InChI InChI=1S/C14H15F3N4OS/c1-9-4-6-10(7-5-9)11-18-12(23-8-14(15,16)17)21(19-11)13(22)20(2)3/h4-7H,8H2,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50138739
PNG
(4-tert-Butyl-N-[4-(5-methoxy-2-oxo-[1,3,4]oxadiazo...)
Show SMILES COc1nn(-c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)c(=O)o1
Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)14-7-5-13(6-8-14)17(24)21-15-9-11-16(12-10-15)23-19(25)27-18(22-23)26-4/h5-12H,1-4H3,(H,21,24)
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n/an/a 200n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit lipoprotein lipase (LPL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138743
PNG
(5-Methylsulfanyl-3-p-tolyl-[1,2,4]triazole-1-carbo...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(C)cc1
Show InChI InChI=1S/C13H16N4OS/c1-9-5-7-10(8-6-9)11-14-12(19-4)17(15-11)13(18)16(2)3/h5-8H,1-4H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138731
PNG
(3-(4-Chloro-phenyl)-5-ethylsulfanyl-[1,2,4]triazol...)
Show SMILES CCSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN4OS/c1-4-20-12-15-11(9-5-7-10(14)8-6-9)16-18(12)13(19)17(2)3/h5-8H,4H2,1-3H3
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n/an/a 210n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138740
PNG
(3-Biphenyl-4-yl-5-methylsulfanyl-[1,2,4]triazole-1...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H18N4OS/c1-21(2)18(23)22-17(24-3)19-16(20-22)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138751
PNG
(5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,...)
Show SMILES CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O2S/c1-24(13-6-4-3-5-7-13)17(26)25-16(28-2)22-15(23-25)12-8-10-14(11-9-12)27-18(19,20)21/h3-11H,1-2H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138738
PNG
(5-(hexylthio)-N,N-dimethyl-3-p-tolyl-1H-1,2,4-tria...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N(C)C)-c1ccc(C)cc1
Show InChI InChI=1S/C18H26N4OS/c1-5-6-7-8-13-24-17-19-16(15-11-9-14(2)10-12-15)20-22(17)18(23)21(3)4/h9-12H,5-8,13H2,1-4H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138760
PNG
(5-(ethylthio)-3-(4-methoxyphenyl)-N-methyl-N-pheny...)
Show SMILES CCSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C19H20N4O2S/c1-4-26-18-20-17(14-10-12-16(25-3)13-11-14)21-23(18)19(24)22(2)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138741
PNG
((3-(4-chlorophenyl)-5-(2,2,2-trifluoroethylthio)-1...)
Show SMILES FC(F)(F)CSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClF3N4OS/c17-12-6-4-11(5-7-12)13-21-14(26-10-16(18,19)20)24(22-13)15(25)23-8-2-1-3-9-23/h4-7H,1-3,8-10H2
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138742
PNG
(3-(4-Chloro-phenyl)-5-propylsulfanyl-[1,2,4]triazo...)
Show SMILES CCCSc1nc(nn1C(=O)N(C)C)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN4OS/c1-4-9-21-13-16-12(10-5-7-11(15)8-6-10)17-19(13)14(20)18(2)3/h5-8H,4,9H2,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138752
PNG
(5-Methylsulfanyl-3-((E)-styryl)-[1,2,4]triazole-1-...)
Show SMILES CSc1nc(\C=C\c2ccccc2)nn1C(=O)N(C)C
Show InChI InChI=1S/C14H16N4OS/c1-17(2)14(19)18-13(20-3)15-12(16-18)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138757
PNG
(3-(4-Chloro-phenyl)-5-hexylsulfanyl-[1,2,4]triazol...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClN4OS/c1-3-4-5-9-16-29-21-24-20(17-12-14-18(23)15-13-17)25-27(21)22(28)26(2)19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16H2,1-2H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138741
PNG
((3-(4-chlorophenyl)-5-(2,2,2-trifluoroethylthio)-1...)
Show SMILES FC(F)(F)CSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClF3N4OS/c17-12-6-4-11(5-7-12)13-21-14(26-10-16(18,19)20)24(22-13)15(25)23-8-2-1-3-9-23/h4-7H,1-3,8-10H2
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138746
PNG
(3-(4-Methoxy-phenyl)-5-methylsulfanyl-[1,2,4]triaz...)
Show SMILES COc1ccc(cc1)-c1nc(SC)n(n1)C(=O)N(C)C
Show InChI InChI=1S/C13H16N4O2S/c1-16(2)13(18)17-12(20-4)14-11(15-17)9-5-7-10(19-3)8-6-9/h5-8H,1-4H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138732
PNG
(3-p-Tolyl-5-(2,2,2-trifluoro-ethylsulfanyl)-[1,2,4...)
Show SMILES CN(C)C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(C)cc1
Show InChI InChI=1S/C14H15F3N4OS/c1-9-4-6-10(7-5-9)11-18-12(23-8-14(15,16)17)21(19-11)13(22)20(2)3/h4-7H,8H2,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138733
PNG
(5-Methylsulfanyl-3-(4-trifluoromethyl-phenyl)-[1,2...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H13F3N4OS/c1-19(2)12(21)20-11(22-3)17-10(18-20)8-4-6-9(7-5-8)13(14,15)16/h4-7H,1-3H3
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n/an/a 500n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138740
PNG
(3-Biphenyl-4-yl-5-methylsulfanyl-[1,2,4]triazole-1...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H18N4OS/c1-21(2)18(23)22-17(24-3)19-16(20-22)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
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n/an/a 560n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138732
PNG
(3-p-Tolyl-5-(2,2,2-trifluoro-ethylsulfanyl)-[1,2,4...)
Show SMILES CN(C)C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(C)cc1
Show InChI InChI=1S/C14H15F3N4OS/c1-9-4-6-10(7-5-9)11-18-12(23-8-14(15,16)17)21(19-11)13(22)20(2)3/h4-7H,8H2,1-3H3
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n/an/a 600n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138744
PNG
(5-(hexylthio)-N-methyl-N-phenyl-3-p-tolyl-1H-1,2,4...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(C)cc1
Show InChI InChI=1S/C23H28N4OS/c1-4-5-6-10-17-29-22-24-21(19-15-13-18(2)14-16-19)25-27(22)23(28)26(3)20-11-8-7-9-12-20/h7-9,11-16H,4-6,10,17H2,1-3H3
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n/an/a 700n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138734
PNG
(3-(3-(benzyloxy)phenyl)-5-ethoxy-1,3,4-oxadiazol-2...)
Show SMILES CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1
Show InChI InChI=1S/C17H16N2O4/c1-2-21-16-18-19(17(20)23-16)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
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n/an/a 750n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138759
PNG
(5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C13H13F3N4O2S/c1-19(2)12(21)20-11(23-3)17-10(18-20)8-4-6-9(7-5-8)22-13(14,15)16/h4-7H,1-3H3
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n/an/a 800n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138746
PNG
(3-(4-Methoxy-phenyl)-5-methylsulfanyl-[1,2,4]triaz...)
Show SMILES COc1ccc(cc1)-c1nc(SC)n(n1)C(=O)N(C)C
Show InChI InChI=1S/C13H16N4O2S/c1-16(2)13(18)17-12(20-4)14-11(15-17)9-5-7-10(19-3)8-6-9/h5-8H,1-4H3
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n/an/a 800n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138743
PNG
(5-Methylsulfanyl-3-p-tolyl-[1,2,4]triazole-1-carbo...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(C)cc1
Show InChI InChI=1S/C13H16N4OS/c1-9-5-7-10(8-6-9)11-14-12(19-4)17(15-11)13(18)16(2)3/h5-8H,1-4H3
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n/an/a 800n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138745
PNG
((3-(4-chlorophenyl)-5-(methylthio)-1H-1,2,4-triazo...)
Show SMILES CSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H17ClN4OS/c1-22-14-17-13(11-5-7-12(16)8-6-11)18-20(14)15(21)19-9-3-2-4-10-19/h5-8H,2-4,9-10H2,1H3
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n/an/a 900n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138747
PNG
((3-(4-chlorophenyl)-5-(cyclopropylmethylthio)-1H-1...)
Show SMILES Clc1ccc(cc1)-c1nc(SCC2CC2)n(n1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H21ClN4OS/c19-15-8-6-14(7-9-15)16-20-17(25-12-13-4-5-13)23(21-16)18(24)22-10-2-1-3-11-22/h6-9,13H,1-5,10-12H2
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n/an/a 900n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138746
PNG
(3-(4-Methoxy-phenyl)-5-methylsulfanyl-[1,2,4]triaz...)
Show SMILES COc1ccc(cc1)-c1nc(SC)n(n1)C(=O)N(C)C
Show InChI InChI=1S/C13H16N4O2S/c1-16(2)13(18)17-12(20-4)14-11(15-17)9-5-7-10(19-3)8-6-9/h5-8H,1-4H3
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n/an/a 900n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138734
PNG
(3-(3-(benzyloxy)phenyl)-5-ethoxy-1,3,4-oxadiazol-2...)
Show SMILES CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1
Show InChI InChI=1S/C17H16N2O4/c1-2-21-16-18-19(17(20)23-16)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
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n/an/a 920n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138741
PNG
((3-(4-chlorophenyl)-5-(2,2,2-trifluoroethylthio)-1...)
Show SMILES FC(F)(F)CSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClF3N4OS/c17-12-6-4-11(5-7-12)13-21-14(26-10-16(18,19)20)24(22-13)15(25)23-8-2-1-3-9-23/h4-7H,1-3,8-10H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138760
PNG
(5-(ethylthio)-3-(4-methoxyphenyl)-N-methyl-N-pheny...)
Show SMILES CCSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C19H20N4O2S/c1-4-26-18-20-17(14-10-12-16(25-3)13-11-14)21-23(18)19(24)22(2)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138734
PNG
(3-(3-(benzyloxy)phenyl)-5-ethoxy-1,3,4-oxadiazol-2...)
Show SMILES CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1
Show InChI InChI=1S/C17H16N2O4/c1-2-21-16-18-19(17(20)23-16)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138749
PNG
(3-(4-Chloro-phenyl)-5-methylsulfanyl-[1,2,4]triazo...)
Show SMILES CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN4OS/c1-21(14-6-4-3-5-7-14)17(23)22-16(24-2)19-15(20-22)12-8-10-13(18)11-9-12/h3-11H,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138740
PNG
(3-Biphenyl-4-yl-5-methylsulfanyl-[1,2,4]triazole-1...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H18N4OS/c1-21(2)18(23)22-17(24-3)19-16(20-22)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hepatic Lipase (HL)


(Homo sapiens (Human))
BDBM50138739
PNG
(4-tert-Butyl-N-[4-(5-methoxy-2-oxo-[1,3,4]oxadiazo...)
Show SMILES COc1nn(-c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)c(=O)o1
Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)14-7-5-13(6-8-14)17(24)21-15-9-11-16(12-10-15)23-19(25)27-18(22-23)26-4/h5-12H,1-4H3,(H,21,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit hepatic lipase (HL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138755
PNG
((5-(methylthio)-3-p-tolyl-1H-1,2,4-triazol-1-yl)(m...)
Show SMILES CSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(C)cc1
Show InChI InChI=1S/C15H18N4O2S/c1-11-3-5-12(6-4-11)13-16-14(22-2)19(17-13)15(20)18-7-9-21-10-8-18/h3-6H,7-10H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138748
PNG
(5-Methylsulfanyl-3-naphthalen-2-yl-[1,2,4]triazole...)
Show SMILES CSc1nc(nn1C(=O)N(C)C)-c1ccc2ccccc2c1
Show InChI InChI=1S/C16H16N4OS/c1-19(2)16(21)20-15(22-3)17-14(18-20)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138736
PNG
((3-(4-chlorophenyl)-5-(methylthio)-1H-1,2,4-triazo...)
Show SMILES CSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H15ClN4O2S/c1-22-13-16-12(10-2-4-11(15)5-3-10)17-19(13)14(20)18-6-8-21-9-7-18/h2-5H,6-9H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138761
PNG
(5-Methylsulfanyl-3-p-tolyl-[1,2,4]triazole-1-carbo...)
Show SMILES CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(C)cc1
Show InChI InChI=1S/C18H18N4OS/c1-13-9-11-14(12-10-13)16-19-17(24-3)22(20-16)18(23)21(2)15-7-5-4-6-8-15/h4-12H,1-3H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138753
PNG
((5-(ethylthio)-3-(4-methoxyphenyl)-1H-1,2,4-triazo...)
Show SMILES CCSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(OC)cc1
Show InChI InChI=1S/C16H20N4O3S/c1-3-24-15-17-14(12-4-6-13(22-2)7-5-12)18-20(15)16(21)19-8-10-23-11-9-19/h4-7H,3,8-11H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138755
PNG
((5-(methylthio)-3-p-tolyl-1H-1,2,4-triazol-1-yl)(m...)
Show SMILES CSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(C)cc1
Show InChI InChI=1S/C15H18N4O2S/c1-11-3-5-12(6-4-11)13-16-14(22-2)19(17-13)15(20)18-7-9-21-10-8-18/h3-6H,7-10H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138753
PNG
((5-(ethylthio)-3-(4-methoxyphenyl)-1H-1,2,4-triazo...)
Show SMILES CCSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(OC)cc1
Show InChI InChI=1S/C16H20N4O3S/c1-3-24-15-17-14(12-4-6-13(22-2)7-5-12)18-20(15)16(21)19-8-10-23-11-9-19/h4-7H,3,8-11H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138730
PNG
((3-(4-chlorophenyl)-5-(2,2,2-trifluoroethylthio)-1...)
Show SMILES FC(F)(F)CSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClF3N4O2S/c16-11-3-1-10(2-4-11)12-20-13(26-9-15(17,18)19)23(21-12)14(24)22-5-7-25-8-6-22/h1-4H,5-9H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50138734
PNG
(3-(3-(benzyloxy)phenyl)-5-ethoxy-1,3,4-oxadiazol-2...)
Show SMILES CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1
Show InChI InChI=1S/C17H16N2O4/c1-2-21-16-18-19(17(20)23-16)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit lipoprotein lipase (LPL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138734
PNG
(3-(3-(benzyloxy)phenyl)-5-ethoxy-1,3,4-oxadiazol-2...)
Show SMILES CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1
Show InChI InChI=1S/C17H16N2O4/c1-2-21-16-18-19(17(20)23-16)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138739
PNG
(4-tert-Butyl-N-[4-(5-methoxy-2-oxo-[1,3,4]oxadiazo...)
Show SMILES COc1nn(-c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)c(=O)o1
Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)14-7-5-13(6-8-14)17(24)21-15-9-11-16(12-10-15)23-19(25)27-18(22-23)26-4/h5-12H,1-4H3,(H,21,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138736
PNG
((3-(4-chlorophenyl)-5-(methylthio)-1H-1,2,4-triazo...)
Show SMILES CSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H15ClN4O2S/c1-22-13-16-12(10-2-4-11(15)5-3-10)17-19(13)14(20)18-6-8-21-9-7-18/h2-5H,6-9H2,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hepatic Lipase (HL)


(Homo sapiens (Human))
BDBM50138734
PNG
(3-(3-(benzyloxy)phenyl)-5-ethoxy-1,3,4-oxadiazol-2...)
Show SMILES CCOc1nn(-c2cccc(OCc3ccccc3)c2)c(=O)o1
Show InChI InChI=1S/C17H16N2O4/c1-2-21-16-18-19(17(20)23-16)14-9-6-10-15(11-14)22-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit hepatic lipase (HL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138751
PNG
(5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,...)
Show SMILES CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O2S/c1-24(13-6-4-3-5-7-13)17(26)25-16(28-2)22-15(23-25)12-8-10-14(11-9-12)27-18(19,20)21/h3-11H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138737
PNG
(3-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethylsulfan...)
Show SMILES CN(C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C18H14ClF3N4OS/c1-25(14-5-3-2-4-6-14)17(27)26-16(28-11-18(20,21)22)23-15(24-26)12-7-9-13(19)10-8-12/h2-10H,11H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hepatic Lipase (HL)


(Homo sapiens (Human))
BDBM50138737
PNG
(3-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethylsulfan...)
Show SMILES CN(C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C18H14ClF3N4OS/c1-25(14-5-3-2-4-6-14)17(27)26-16(28-11-18(20,21)22)23-15(24-26)12-7-9-13(19)10-8-12/h2-10H,11H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit hepatic lipase (HL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hepatic Lipase (HL)


(Homo sapiens (Human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit hepatic lipase (HL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138730
PNG
((3-(4-chlorophenyl)-5-(2,2,2-trifluoroethylthio)-1...)
Show SMILES FC(F)(F)CSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClF3N4O2S/c16-11-3-1-10(2-4-11)12-20-13(26-9-15(17,18)19)23(21-12)14(24)22-5-7-25-8-6-22/h1-4H,5-9H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138739
PNG
(4-tert-Butyl-N-[4-(5-methoxy-2-oxo-[1,3,4]oxadiazo...)
Show SMILES COc1nn(-c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)c(=O)o1
Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)14-7-5-13(6-8-14)17(24)21-15-9-11-16(12-10-15)23-19(25)27-18(22-23)26-4/h5-12H,1-4H3,(H,21,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit lipoprotein lipase (LPL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138735
PNG
((S)-4-isopropyl-3-methyl-2-(3-methylpiperidine-1-c...)
Show SMILES CC(C)c1c(C)n(oc1=O)C(=O)N1CCC[C@H](C)C1
Show InChI InChI=1S/C14H22N2O3/c1-9(2)12-11(4)16(19-13(12)17)14(18)15-7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138751
PNG
(5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,...)
Show SMILES CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O2S/c1-24(13-6-4-3-5-7-13)17(26)25-16(28-2)22-15(23-25)12-8-10-14(11-9-12)27-18(19,20)21/h3-11H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138751
PNG
(5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,...)
Show SMILES CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O2S/c1-24(13-6-4-3-5-7-13)17(26)25-16(28-2)22-15(23-25)12-8-10-14(11-9-12)27-18(19,20)21/h3-11H,1-2H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138756
PNG
(CHEMBL335158 | [3-(4-Chloro-phenyl)-5-hexylsulfany...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H27ClN4OS/c1-2-3-4-8-15-27-19-22-18(16-9-11-17(21)12-10-16)23-25(19)20(26)24-13-6-5-7-14-24/h9-12H,2-8,13-15H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138754
PNG
((3-(4-chlorophenyl)-5-(hexylthio)-1H-1,2,4-triazol...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H25ClN4O2S/c1-2-3-4-5-14-27-18-21-17(15-6-8-16(20)9-7-15)22-24(18)19(25)23-10-12-26-13-11-23/h6-9H,2-5,10-14H2,1H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138757
PNG
(3-(4-Chloro-phenyl)-5-hexylsulfanyl-[1,2,4]triazol...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClN4OS/c1-3-4-5-9-16-29-21-24-20(17-12-14-18(23)15-13-17)25-27(21)22(28)26(2)19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16H2,1-2H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50138751
PNG
(5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,...)
Show SMILES CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O2S/c1-24(13-6-4-3-5-7-13)17(26)25-16(28-2)22-15(23-25)12-8-10-14(11-9-12)27-18(19,20)21/h3-11H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit lipoprotein lipase (LPL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138738
PNG
(5-(hexylthio)-N,N-dimethyl-3-p-tolyl-1H-1,2,4-tria...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N(C)C)-c1ccc(C)cc1
Show InChI InChI=1S/C18H26N4OS/c1-5-6-7-8-13-24-17-19-16(15-11-9-14(2)10-12-15)20-22(17)18(23)21(3)4/h9-12H,5-8,13H2,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Pancreatic lipase


(Homo sapiens)
BDBM50138737
PNG
(3-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethylsulfan...)
Show SMILES CN(C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C18H14ClF3N4OS/c1-25(14-5-3-2-4-6-14)17(27)26-16(28-11-18(20,21)22)23-15(24-26)12-7-9-13(19)10-8-12/h2-10H,11H2,1H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit pancreatic lipase (PL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138754
PNG
((3-(4-chlorophenyl)-5-(hexylthio)-1H-1,2,4-triazol...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H25ClN4O2S/c1-2-3-4-5-14-27-18-21-17(15-6-8-16(20)9-7-15)22-24(18)19(25)23-10-12-26-13-11-23/h6-9H,2-5,10-14H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138744
PNG
(5-(hexylthio)-N-methyl-N-phenyl-3-p-tolyl-1H-1,2,4...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(C)cc1
Show InChI InChI=1S/C23H28N4OS/c1-4-5-6-10-17-29-22-24-21(19-15-13-18(2)14-16-19)25-27(22)23(28)26(3)20-11-8-7-9-12-20/h7-9,11-16H,4-6,10,17H2,1-3H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138756
PNG
(CHEMBL335158 | [3-(4-Chloro-phenyl)-5-hexylsulfany...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H27ClN4OS/c1-2-3-4-8-15-27-19-22-18(16-9-11-17(21)12-10-16)23-25(19)20(26)24-13-6-5-7-14-24/h9-12H,2-8,13-15H2,1H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Lipoprotein lipase


(Homo sapiens)
BDBM50138737
PNG
(3-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethylsulfan...)
Show SMILES CN(C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C18H14ClF3N4OS/c1-25(14-5-3-2-4-6-14)17(27)26-16(28-11-18(20,21)22)23-15(24-26)12-7-9-13(19)10-8-12/h2-10H,11H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit lipoprotein lipase (LPL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138730
PNG
((3-(4-chlorophenyl)-5-(2,2,2-trifluoroethylthio)-1...)
Show SMILES FC(F)(F)CSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClF3N4O2S/c16-11-3-1-10(2-4-11)12-20-13(26-9-15(17,18)19)23(21-12)14(24)22-5-7-25-8-6-22/h1-4H,5-9H2
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138754
PNG
((3-(4-chlorophenyl)-5-(hexylthio)-1H-1,2,4-triazol...)
Show SMILES CCCCCCSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H25ClN4O2S/c1-2-3-4-5-14-27-18-21-17(15-6-8-16(20)9-7-15)22-24(18)19(25)23-10-12-26-13-11-23/h6-9H,2-5,10-14H2,1H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hepatic Lipase (HL)


(Homo sapiens (Human))
BDBM50138751
PNG
(5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,...)
Show SMILES CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H15F3N4O2S/c1-24(13-6-4-3-5-7-13)17(26)25-16(28-2)22-15(23-25)12-8-10-14(11-9-12)27-18(19,20)21/h3-11H,1-2H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Compound was tested to inhibit hepatic lipase (HL)


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138736
PNG
((3-(4-chlorophenyl)-5-(methylthio)-1H-1,2,4-triazo...)
Show SMILES CSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H15ClN4O2S/c1-22-13-16-12(10-2-4-11(15)5-3-10)17-19(13)14(20)18-6-8-21-9-7-18/h2-5H,6-9H2,1H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Hormone-sensitive lipase (HSL)


(Homo sapiens (Human))
BDBM50138752
PNG
(5-Methylsulfanyl-3-((E)-styryl)-[1,2,4]triazole-1-...)
Show SMILES CSc1nc(\C=C\c2ccccc2)nn1C(=O)N(C)C
Show InChI InChI=1S/C14H16N4OS/c1-17(2)14(19)18-13(20-3)15-12(16-18)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of hormone sensitive lipase (HSL).


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138755
PNG
((5-(methylthio)-3-p-tolyl-1H-1,2,4-triazol-1-yl)(m...)
Show SMILES CSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(C)cc1
Show InChI InChI=1S/C15H18N4O2S/c1-11-3-5-12(6-4-11)13-16-14(22-2)19(17-13)15(20)18-7-9-21-10-8-18/h3-6H,7-10H2,1-2H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50138739
PNG
(4-tert-Butyl-N-[4-(5-methoxy-2-oxo-[1,3,4]oxadiazo...)
Show SMILES COc1nn(-c2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2)c(=O)o1
Show InChI InChI=1S/C20H21N3O4/c1-20(2,3)14-7-5-13(6-8-14)17(24)21-15-9-11-16(12-10-15)23-19(25)27-18(22-23)26-4/h5-12H,1-4H3,(H,21,24)
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against butyrylcholinesterase.


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138753
PNG
((5-(ethylthio)-3-(4-methoxyphenyl)-1H-1,2,4-triazo...)
Show SMILES CCSc1nc(nn1C(=O)N1CCOCC1)-c1ccc(OC)cc1
Show InChI InChI=1S/C16H20N4O3S/c1-3-24-15-17-14(12-4-6-13(22-2)7-5-12)18-20(15)16(21)19-8-10-23-11-9-19/h4-7H,3,8-11H2,1-2H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50138737
PNG
(3-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethylsulfan...)
Show SMILES CN(C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C18H14ClF3N4OS/c1-25(14-5-3-2-4-6-14)17(27)26-16(28-11-18(20,21)22)23-15(24-26)12-7-9-13(19)10-8-12/h2-10H,11H2,1H3
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Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against acetylcholinesterase


J Med Chem 47: 400-10 (2004)


Article DOI: 10.1021/jm031004s
BindingDB Entry DOI: 10.7270/Q2ZG6RN1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%