Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50333948'   

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))	BDBM50333948 ((S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-me...) Show SMILES COc1ccc(cc1)C1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| Show InChI InChI=1S/C38H50N4O8S/c1-23(2)20-39-38(46)32(24(3)4)19-34(43)33-22-50-21-25-9-8-10-27(15-25)35(26-11-13-31(49-6)14-12-26)41-37(45)29-16-28(36(44)40-33)17-30(18-29)42(5)51(7,47)48/h8-18,23-24,32-35,43H,19-22H2,1-7H3,(H,39,46)(H,40,44)(H,41,45)/t32-,33-,34-,35?/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	760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medivir AB Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 21: 358-62 (2010) Article DOI: 10.1016/j.bmcl.2010.10.140 BindingDB Entry DOI: 10.7270/Q2HM58RJ
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