BDBM50114050 CHEMBL3605412

SMILES: [O-][N+](=O)c1ccc(cc1F)C(=O)NC1(CCCCC1)C(=O)NCC#N

InChI Key: InChIKey=YLPBVLCRUFBDEO-UHFFFAOYSA-N

Data: 1 KI

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 = 50114050   

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 K (Homo sapiens (Human))	BDBM50114050 (CHEMBL3605412) Show SMILES [O-][N+](=O)c1ccc(cc1F)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C16H17FN4O4/c17-12-10-11(4-5-13(12)21(24)25)14(22)20-16(6-2-1-3-7-16)15(23)19-9-8-18/h4-5,10H,1-3,6-7,9H2,(H,19,23)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of human cathepsin-K using Z-Gly-Pro-Arg-AMC as substrate preincubated for 30 mins measured after 10 mins by fluorescence assay				J Med Chem 58: 6928-37 (2015) BindingDB Entry DOI: 10.7270/Q2BK1F44
					More data for this Ligand-Target Pair