BDBM183944 US9150526, 207

SMILES: COc1ccc2CC(C)(C)Oc2c1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1

InChI Key: InChIKey=SPZDFUHQIYXMOE-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 = 183944   

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))	BDBM183944 (US9150526, 207) Show SMILES COc1ccc2CC(C)(C)Oc2c1-c1cc(cc(c1)C(F)(F)F)C(CC(O)=O)c1nnc(C)o1 Show InChI InChI=1S/C24H23F3N2O5/c1-12-28-29-22(33-12)17(10-19(30)31)14-7-15(9-16(8-14)24(25,26)27)20-18(32-4)6-5-13-11-23(2,3)34-21(13)20/h5-9,17H,10-11H2,1-4H3,(H,30,31)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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