BDBM157017 US9029559, 464

SMILES: COc1ccc(nc1-c1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C

InChI Key: InChIKey=SODFZHPQYLXVKG-IBGZPJMESA-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 = 157017   

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))	BDBM157017 (US9029559, 464) Show SMILES COc1ccc(nc1-c1ccccc1C(F)(F)F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C Show InChI InChI=1S/C24H21F3N2O4/c1-14-7-3-4-8-15(14)19(13-21(30)31)29-23(32)18-11-12-20(33-2)22(28-18)16-9-5-6-10-17(16)24(25,26)27/h3-12,19H,13H2,1-2H3,(H,29,32)(H,30,31)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	99.3	n/a	n/a	n/a	n/a	5.5	25
SANOFI US Patent					Assay Description The activated cathepsin A was diluted in assay buffer (25 mM MES, pH 5.5, containing 5 mM DTT) and mixed with the test compound (dissolved in assay b...				US Patent US9029559 (2015) BindingDB Entry DOI: 10.7270/Q22V2DW7
					More data for this Ligand-Target Pair