BDBM183844 US9150526, 97

SMILES: COc1cc(C)cc(OC)c1-c1cc(F)cc(c1)C(CC(O)=O)c1ncco1

InChI Key: InChIKey=LZXIHXXTLJVZAZ-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 = 183844   

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))	BDBM183844 (US9150526, 97) Show SMILES COc1cc(C)cc(OC)c1-c1cc(F)cc(c1)C(CC(O)=O)c1ncco1 Show InChI InChI=1S/C21H20FNO5/c1-12-6-17(26-2)20(18(7-12)27-3)14-8-13(9-15(22)10-14)16(11-19(24)25)21-23-4-5-28-21/h4-10,16H,11H2,1-3H3,(H,24,25)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	6.0	37
Sanofi US Patent					Assay Description Recombinant human cathepsin A (residues 29-480, with a C-terminal 10-His tag; R&D Systems, #1049-SE) was proteolytically activated with recombinant h...				US Patent US9150526 (2015) BindingDB Entry DOI: 10.7270/Q2QR4VXP
					More data for this Ligand-Target Pair