BDBM50138741 (3-(4-chlorophenyl)-5-(2,2,2-trifluoroethylthio)-1H-1,2,4-triazol-1-yl)(piperidin-1-yl)methanone::CHEMBL130628::[3-(4-Chloro-phenyl)-5-(2,2,2-trifluoro-ethylsulfanyl)-[1,2,4]triazol-1-yl]-piperidin-1-yl-methanone

SMILES: FC(F)(F)CSc1nc(nn1C(=O)N1CCCCC1)-c1ccc(Cl)cc1

InChI Key: InChIKey=GTBUYLWBDILEPY-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 = 50138741   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50138741 ((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	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	300	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) (Rattus norvegicus (Rat))	BDBM50138741 ((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	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.06	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 (HSL) (Homo sapiens (Human))	BDBM50138741 ((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	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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))	BDBM50138741 ((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	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	1.00E+3	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