BDBM50331563 2-fluoro-N-(1-oxobutan-2-yl)-3-(trifluoromethyl)benzamide::CHEMBL1288614

SMILES: CCC(NC(=O)c1cccc(c1F)C(F)(F)F)C=O

InChI Key: InChIKey=FPUNYMFGQYPAHF-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50331563   

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
Cathepsin S (Homo sapiens (Human))	BDBM50331563 (2-fluoro-N-(1-oxobutan-2-yl)-3-(trifluoromethyl)be...) Show SMILES CCC(NC(=O)c1cccc(c1F)C(F)(F)F)C=O Show InChI InChI=1S/C12H11F4NO2/c1-2-7(6-18)17-11(19)8-4-3-5-9(10(8)13)12(14,15)16/h3-7H,2H2,1H3,(H,17,19)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S by fluorescence assay				Bioorg Med Chem Lett 20: 6890-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.012 BindingDB Entry DOI: 10.7270/Q20G3KD0
					More data for this Ligand-Target Pair