BDBM50396587 CHEMBL2171399

SMILES: COc1c(F)c(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C

InChI Key: InChIKey=JJESVTISHCJIHX-HNNXBMFYSA-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 = 50396587   

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))	BDBM50396587 (CHEMBL2171399) Show SMILES COc1c(F)c(nn1-c1ccccc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C |r| Show InChI InChI=1S/C21H19F2N3O4/c1-12-7-3-4-8-13(12)15(11-17(27)28)24-20(29)19-18(23)21(30-2)26(25-19)16-10-6-5-9-14(16)22/h3-10,15H,11H2,1-2H3,(H,24,29)(H,27,28)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	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