Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 510.5 BDBM275610

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))	BDBM275610 (US9884814, Compound 213) Show SMILES COc1cc(CNC(=O)[C@@H](Cc2ccccc2)NC(=N)NC(=O)Cc2ccc(F)c(OC)c2)ccc1F |r| Show InChI InChI=1S/C27H28F2N4O4/c1-36-23-13-18(8-10-20(23)28)15-25(34)33-27(30)32-22(12-17-6-4-3-5-7-17)26(35)31-16-19-9-11-21(29)24(14-19)37-2/h3-11,13-14,22H,12,15-16H2,1-2H3,(H,31,35)(H3,30,32,33,34)/t22-/m1/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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