Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 400.5 BDBM275542

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))	BDBM275542 (US9884814, Compound 102) Show SMILES CC[C@H](C)CNC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C23H36N4O2/c1-3-17(2)16-25-22(29)20(14-18-10-6-4-7-11-18)26-23(24)27-21(28)15-19-12-8-5-9-13-19/h5,8-9,12-13,17-18,20H,3-4,6-7,10-11,14-16H2,1-2H3,(H,25,29)(H3,24,26,27,28)/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	250	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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