Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.5 BDBM327812

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))	BDBM327812 (US9663475, Compound A22) Show SMILES COc1ccc2CN(Cc2c1)C(=O)c1ccc2CN(C3Cc4ccccc4C3)C(N)=Nc2c1 |c:33| Show InChI InChI=1S/C27H26N4O2/c1-33-24-9-8-20-14-30(15-22(20)12-24)26(32)19-6-7-21-16-31(27(28)29-25(21)13-19)23-10-17-4-2-3-5-18(17)11-23/h2-9,12-13,23H,10-11,14-16H2,1H3,(H2,28,29)	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	180	n/a	n/a	n/a	n/a	n/a	n/a
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 US9663475 (2017) BindingDB Entry DOI: 10.7270/Q2QC05M2
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