Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50302869'   

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))	BDBM50302869 (CHEMBL583688 | N-((2S,3R)-4-((3R,6S)-6-acetamido-3...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](NC(C)=O)NC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C29H40F2N4O3/c1-18(36)34-25(13-20-11-23(30)15-24(31)12-20)26(38)16-33-29(10-9-27(32-17-29)35-19(2)37)22-8-6-7-21(14-22)28(3,4)5/h6-8,11-12,14-15,25-27,32-33,38H,9-10,13,16-17H2,1-5H3,(H,34,36)(H,35,37)/t25-,26+,27-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of cathepsin D assessed as reduction in polarization after 110 mins by oregon green based fluorescence polarization assay				Bioorg Med Chem Lett 19: 6386-91 (2009) Article DOI: 10.1016/j.bmcl.2009.09.061 BindingDB Entry DOI: 10.7270/Q23779NV
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