BDBM47345 US9029559, 470

SMILES: COc1ccc(nc1-c1cc(C)ncc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C

InChI Key: InChIKey=MTSWQBRGBADNCL-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 = 47345   

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))	BDBM47345 (US9029559, 470) Show SMILES COc1ccc(nc1-c1cc(C)ncc1F)C(=O)N[C@@H](CC(O)=O)c1ccccc1C Show InChI InChI=1S/C23H22FN3O4/c1-13-6-4-5-7-15(13)19(11-21(28)29)27-23(30)18-8-9-20(31-3)22(26-18)16-10-14(2)25-12-17(16)24/h4-10,12,19H,11H2,1-3H3,(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	118	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