BDBM183959 US9150526, 222

SMILES: COc1ccc(cc1-c1cc(F)cc(c1)C(CC(O)=O)c1nnc(C)o1)C(C)(C)C#N

InChI Key: InChIKey=WHJMZEXAEYQDOE-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 = 183959   

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))	BDBM183959 (US9150526, 222) Show SMILES COc1ccc(cc1-c1cc(F)cc(c1)C(CC(O)=O)c1nnc(C)o1)C(C)(C)C#N Show InChI InChI=1S/C23H22FN3O4/c1-13-26-27-22(31-13)19(11-21(28)29)15-7-14(8-17(24)9-15)18-10-16(23(2,3)12-25)5-6-20(18)30-4/h5-10,19H,11H2,1-4H3,(H,28,29)	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	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