Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50302854'   

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))	BDBM50302854 (CHEMBL583136 | trans-N-((2S,3R)-4-(1-(3-tert-butyl...) Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@]1(CC[C@H](CCO)CC1)c1cccc(c1)C(C)(C)C |r,wU:14.15,18.18,wD:4.3,21.22,(.89,-51.04,;-.44,-50.27,;-.44,-48.73,;-1.77,-51.04,;-1.77,-52.58,;-3.11,-53.34,;-4.44,-52.57,;-5.78,-53.34,;-7.12,-52.57,;-8.45,-53.34,;-7.12,-51.02,;-5.78,-50.25,;-5.79,-48.71,;-4.44,-51.02,;-.44,-53.35,;-.44,-54.89,;.89,-52.58,;2.22,-53.35,;3.56,-52.59,;2.22,-51.82,;2.22,-50.27,;3.56,-49.49,;3.56,-47.95,;4.89,-47.18,;4.89,-45.64,;4.9,-50.27,;4.9,-51.82,;4.89,-53.36,;4.89,-54.89,;6.22,-55.66,;7.56,-54.89,;7.55,-53.34,;6.21,-52.58,;8.88,-52.56,;10.22,-53.32,;8.87,-51.02,;10.2,-51.78,)| Show InChI InChI=1S/C30H42F2N2O3/c1-20(36)34-27(16-22-14-25(31)18-26(32)15-22)28(37)19-33-30(11-8-21(9-12-30)10-13-35)24-7-5-6-23(17-24)29(2,3)4/h5-7,14-15,17-18,21,27-28,33,35,37H,8-13,16,19H2,1-4H3,(H,34,36)/t21-,27-,28+,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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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