BDBM50396583 CHEMBL2171404

SMILES: OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccc(cc1)-c1ccc(F)cc1

InChI Key: InChIKey=HPTZVPGJYCYQTK-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 = 50396583   

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 A (CTSA) (Homo sapiens (Human))	BDBM50396583 (CHEMBL2171404) Show SMILES OC(=O)CC(NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F)c1ccc(cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C25H19F2N3O4/c26-18-11-9-16(10-12-18)15-5-7-17(8-6-15)20(14-24(32)33)28-25(34)21-13-23(31)30(29-21)22-4-2-1-3-19(22)27/h1-13,20,29H,14H2,(H,28,34)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculovirus infected Sf9 cells using BodipyFL labeled bradykinin as substra...				J Med Chem 55: 7636-49 (2012) Article DOI: 10.1021/jm300663n BindingDB Entry DOI: 10.7270/Q2SJ1MRZ
					More data for this Ligand-Target Pair