null

SMILES: CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(CCc2nc(C)ncc2C1)c1cccc(c1)C(C)(C)C

InChI Key: InChIKey=XDGLKEPBKNWNMG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50378122   

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 D (Homo sapiens (Human))	BDBM50378122 (CHEMBL1163020) Show SMILES CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(CCc2nc(C)ncc2C1)c1cccc(c1)C(C)(C)C Show InChI InChI=1S/C31H38F2N4O2/c1-19-34-17-22-16-31(10-9-27(22)36-19,24-8-6-7-23(14-24)30(3,4)5)35-18-29(39)28(37-20(2)38)13-21-11-25(32)15-26(33)12-21/h6-8,11-12,14-15,17,28-29,35,39H,9-10,13,16,18H2,1-5H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin D assessed as reduction in polarization after 110 mins by oregon green based fluorescence polarization assay				Bioorg Med Chem Lett 19: 6386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.09.061 BindingDB Entry DOI: 10.7270/Q23779NV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50378122 (CHEMBL1163020) Show SMILES CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(CCc2nc(C)ncc2C1)c1cccc(c1)C(C)(C)C Show InChI InChI=1S/C31H38F2N4O2/c1-19-34-17-22-16-31(10-9-27(22)36-19,24-8-6-7-23(14-24)30(3,4)5)35-18-29(39)28(37-20(2)38)13-21-11-25(32)15-26(33)12-21/h6-8,11-12,14-15,17,28-29,35,39H,9-10,13,16,18H2,1-5H3,(H,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of recombinant BACE1 expressed in Escherichia coli after 3 hrs by oregon green based fluorescence polarization assay				Bioorg Med Chem Lett 19: 6386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.09.061 BindingDB Entry DOI: 10.7270/Q23779NV
					More data for this Ligand-Target Pair