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BDBM50138751 5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,2,4]triazole-1-carboxylic acid methyl-phenyl-amide::CHEMBL131051::N-methyl-5-(methylthio)-N-phenyl-3-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole-1-carboxamide

SMILES: CSc1nc(nn1C(=O)N(C)c1ccccc1)-c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=RKKAABIABTWSCU-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50138751   
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
Pancreatic lipase


(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
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))
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 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))
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 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 (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
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)


(Rattus norvegicus (Rat))
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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PC sid
UniChem
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n/an/a 4.41n/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))
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
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+7n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human AChE


J Med Chem 58: 6448-55 (2015)


BindingDB Entry DOI: 10.7270/Q2N018BP
More data for this
Ligand-Target Pair
Hormone sensitive lipase


(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 2.50E+5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of HSL (unknown origin)


J Med Chem 58: 6448-55 (2015)


BindingDB Entry DOI: 10.7270/Q2N018BP
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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n/an/a 250n/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