Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 554.6 BDBM275707

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))	BDBM275707 (US9884814, Compound 321) Show SMILES COc1ccc(CC(=O)NC(=N)N[C@H](Cc2ccccc2)C(=O)NCc2cccc(c2)-c2ccn(C)n2)cc1OC |r| Show InChI InChI=1S/C31H34N6O4/c1-37-15-14-25(36-37)24-11-7-10-23(16-24)20-33-30(39)26(17-21-8-5-4-6-9-21)34-31(32)35-29(38)19-22-12-13-27(40-2)28(18-22)41-3/h4-16,18,26H,17,19-20H2,1-3H3,(H,33,39)(H3,32,34,35,38)/t26-/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	240	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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