BDBM232277 US9345742, 35

SMILES: CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C

InChI Key: InChIKey=FBOIGZLQZUTAIV-GCIMQLSOSA-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 = 232277   

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))	BDBM232277 (US9345742, 35) Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C |r| Show InChI InChI=1S/C33H46F3N5O5/c1-20(2)14-15-38-31(44)22(5)39-29(43)19-26(37)27(17-23-10-7-6-8-11-23)40-32(45)30(21(3)4)41-28(42)18-24-12-9-13-25(16-24)46-33(34,35)36/h6-13,16,20-22,26-27,30H,14-15,17-19,37H2,1-5H3,(H,38,44)(H,39,43)(H,40,45)(H,41,42)/t22-,26-,27-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	5.5	25
MERCK PATENT GMBH US Patent					Assay Description In order to identify modulators of cathepsin D activity, a continuous enzymatic test was carried out with a synthetic peptide which carries a fluores...				US Patent US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
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