BDBM50396568 CHEMBL2171386

SMILES: Cc1ccc(C)c(c1)-n1[nH]c(cc1=O)C(=O)NC(CC(O)=O)c1ccc(F)cc1

InChI Key: InChIKey=YBVHBZGXPINVMH-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 = 50396568   

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))	BDBM50396568 (CHEMBL2171386) Show SMILES Cc1ccc(C)c(c1)-n1[nH]c(cc1=O)C(=O)NC(CC(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN3O4/c1-12-3-4-13(2)18(9-12)25-19(26)10-17(24-25)21(29)23-16(11-20(27)28)14-5-7-15(22)8-6-14/h3-10,16,24H,11H2,1-2H3,(H,23,29)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.38E+3	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