Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM232279'   

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))	BDBM232279 (US9345742, 37) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1cccc(OC(F)(F)F)c1)[C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C37H52F3N5O7/c1-7-22(5)32(43-29(46)19-25-15-12-16-26(17-25)52-37(38,39)40)34(48)42-28(18-24-13-10-9-11-14-24)27(41)20-30(47)44-33(23(6)8-2)35(49)45-31(21(3)4)36(50)51/h9-17,21-23,27-28,31-33H,7-8,18-20,41H2,1-6H3,(H,42,48)(H,43,46)(H,44,47)(H,45,49)(H,50,51)/t22-,23-,27-,28-,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	3.20	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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