Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 454.5 BDBM275487

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin D (Homo sapiens (Human))	BDBM275487 (US9884814, Compound 42) Show SMILES CC[C@H](C)CNC(=O)[C@@H](Cc1ccccc1)NC(=N)NC(=O)Cc1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C25H34N4O4/c1-5-17(2)16-27-24(31)20(13-18-9-7-6-8-10-18)28-25(26)29-23(30)15-19-11-12-21(32-3)22(14-19)33-4/h6-12,14,17,20H,5,13,15-16H2,1-4H3,(H,27,31)(H3,26,28,29,30)/t17-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	230	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 US9884814 (2018) BindingDB Entry DOI: 10.7270/Q25Q4Z3V
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