BDBM50138759 5-Methylsulfanyl-3-(4-trifluoromethoxy-phenyl)-[1,2,4]triazole-1-carboxylic acid dimethylamide::CHEMBL130478::N,N-dimethyl-5-(methylthio)-3-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole-1-carboxamide

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

InChI Key: InChIKey=FBOHEFQKBNWFPO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50138759   

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
Hormone-sensitive lipase (HSL) (Homo sapiens (Human))	BDBM50138759 (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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	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
Cholinesterases (Homo sapiens (Human))	BDBM50138759 (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	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	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 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))	BDBM50138759 (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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76	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
Hormone sensitive lipase (Homo sapiens (Human))	BDBM50138759 (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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50138759 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50138759 (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	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	800	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