Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 704.5 BDBM36563

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))	BDBM36563 (EFA) Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCc1ccc(Cl)c(Cl)c1)[C@@H](NC(=O)CCn1c2ccccc2oc1=O)c1ccccc1 |r| Show InChI InChI=1S/C37H35Cl2N3O7/c38-27-13-10-24(20-28(27)39)12-15-35(45)41(18-16-25-11-14-32-33(21-25)48-23-47-32)22-30(43)36(26-6-2-1-3-7-26)40-34(44)17-19-42-29-8-4-5-9-31(29)49-37(42)46/h1-11,13-14,20-21,30,36,43H,12,15-19,22-23H2,(H,40,44)/t30?,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	171	n/a	n/a	n/a	n/a	n/a	n/a	3.7	n/a
University of California Berkeley					Assay Description A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.				Chem Biol 4: 297-307 (1997) Article DOI: 10.1016/s1074-5521(97)90073-9 BindingDB Entry DOI: 10.7270/Q21R6NW9
					More data for this Ligand-Target Pair