Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM232264'   

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))	BDBM232264 (US9345742, 22) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C36H51Cl2N5O7/c1-8-22(6)33(35(47)43-32(21(4)5)36(48)49-7)41-29(44)18-26(39)27(16-23-12-10-9-11-13-23)40-34(46)31(20(2)3)42-30(45)19-50-28-15-14-24(37)17-25(28)38/h9-15,17,20-22,26-27,31-33H,8,16,18-19,39H2,1-7H3,(H,40,46)(H,41,44)(H,42,45)(H,43,47)/t22-,26-,27-,31-,32-,33-/m0/s1	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	27	n/a	n/a	n/a	n/a	5.5	25
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 US9345742 (2016) BindingDB Entry DOI: 10.7270/Q25Q4TZD
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