Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM232248'   

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))	BDBM232248 (US9345742, 6) Show SMILES CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)NCCc1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C34H49Cl2N5O4/c1-6-28(40-34(45)30(16-21(2)3)39-32(43)17-22(4)5)33(44)41-29(19-23-10-8-7-9-11-23)27(37)20-31(42)38-15-14-24-12-13-25(35)26(36)18-24/h7-13,18,21-22,27-30H,6,14-17,19-20,37H2,1-5H3,(H,38,42)(H,39,43)(H,40,45)(H,41,44)/t27-,28-,29-,30-/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	1.20E+3	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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