BDBM157002 US9029559, 447

SMILES: COc1ccc(nc1-c1ccc(F)cc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl

InChI Key: InChIKey=LAFMJGDCWHALMS-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 = 157002   

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))	BDBM157002 (US9029559, 447) Show SMILES COc1ccc(nc1-c1ccc(F)cc1C)C(=O)N[C@@H](CC(O)=O)c1ccccc1Cl Show InChI InChI=1S/C23H20ClFN2O4/c1-13-11-14(25)7-8-15(13)22-20(31-2)10-9-18(26-22)23(30)27-19(12-21(28)29)16-5-3-4-6-17(16)24/h3-11,19H,12H2,1-2H3,(H,27,30)(H,28,29)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	111	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