BDBM50396571 CHEMBL2171383

SMILES: COc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F

InChI Key: InChIKey=FYWIDMUFZJDGBW-AWEZNQCLSA-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 = 50396571   

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))	BDBM50396571 (CHEMBL2171383) Show SMILES COc1ccccc1[C@H](CC(O)=O)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1F |r| Show InChI InChI=1S/C20H18FN3O5/c1-29-17-9-5-2-6-12(17)14(11-19(26)27)22-20(28)15-10-18(25)24(23-15)16-8-4-3-7-13(16)21/h2-10,14,23H,11H2,1H3,(H,22,28)(H,26,27)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	357	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