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BDBM50138737 3-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethylsulfanyl)-[1,2,4]triazole-1-carboxylic acid methyl-phenyl-amide::3-(4-chlorophenyl)-N-methyl-N-phenyl-5-(2,2,2-trifluoroethylthio)-1H-1,2,4-triazole-1-carboxamide::CHEMBL131588

SMILES: CN(C(=O)n1nc(nc1SCC(F)(F)F)-c1ccc(Cl)cc1)c1ccccc1

InChI Key: InChIKey=LOFGEQLLLVJCDY-UHFFFAOYSA-N

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50138737   
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))
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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MMDB

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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
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
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
Hormone-sensitive lipase (HSL)


(Rattus norvegicus (Rat))
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
KEGG

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n/an/a 3n/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay


J Med Chem 51: 6478-94 (2008)


Article DOI: 10.1021/jm800718k
BindingDB Entry DOI: 10.7270/Q23778KJ
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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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
Pancreatic lipase


(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 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
Lipoprotein lipase


(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 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