Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 444.6 BDBM275584

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))	BDBM275584 (US9884814, Compound 159) Show SMILES CC(C)CNC(=O)[C@@H](CC1CCCCC1)NC(=N)NC(=O)C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |r,TLB:21:22:27:24.25.29,21:22:27.26.25:29,THB:23:24:27:30.22.31,23:22:27:24.25.29,31:22:27.26.25:29| Show InChI InChI=1S/C26H44N4O2/c1-17(2)16-28-24(32)22(11-18-6-4-3-5-7-18)29-25(27)30-23(31)15-26-12-19-8-20(13-26)10-21(9-19)14-26/h17-22H,3-16H2,1-2H3,(H,28,32)(H3,27,29,30,31)/t19-,20+,21-,22-,26-/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	960	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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