BDBM50378121 CHEMBL609988

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

InChI Key: InChIKey=LUWOLSNFQZQQJX-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50378121   

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))	BDBM50378121 (CHEMBL609988) Show SMILES CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(CCc2nc(N)ncc2C1)c1cccc(c1)C(C)(C)C Show InChI InChI=1S/C30H37F2N5O2/c1-18(38)36-26(12-19-10-23(31)14-24(32)11-19)27(39)17-35-30(22-7-5-6-21(13-22)29(2,3)4)9-8-25-20(15-30)16-34-28(33)37-25/h5-7,10-11,13-14,16,26-27,35,39H,8-9,12,15,17H2,1-4H3,(H,36,38)(H2,33,34,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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))	BDBM50378121 (CHEMBL609988) Show SMILES CC(=O)NC(Cc1cc(F)cc(F)c1)C(O)CNC1(CCc2nc(N)ncc2C1)c1cccc(c1)C(C)(C)C Show InChI InChI=1S/C30H37F2N5O2/c1-18(38)36-26(12-19-10-23(31)14-24(32)11-19)27(39)17-35-30(22-7-5-6-21(13-22)29(2,3)4)9-8-25-20(15-30)16-34-28(33)37-25/h5-7,10-11,13-14,16,26-27,35,39H,8-9,12,15,17H2,1-4H3,(H,36,38)(H2,33,34,37)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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