BDBM50138732 3-p-Tolyl-5-(2,2,2-trifluoro-ethylsulfanyl)-[1,2,4]triazole-1-carboxylic acid dimethylamide::CHEMBL131320::N,N-dimethyl-3-p-tolyl-5-(2,2,2-trifluoroethylthio)-1H-1,2,4-triazole-1-carboxamide

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

InChI Key: InChIKey=MYAOJPWDGLEXIZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50138732   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cholinesterases (Homo sapiens (Human))	BDBM50138732 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/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) (Rattus norvegicus (Rat))	BDBM50138732 (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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.6	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50138732 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/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 (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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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