Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM232245'   

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))	BDBM232245 (US9345742, 3) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC |r| Show InChI InChI=1S/C34H57N5O6/c1-10-23(8)31(33(43)39-30(22(6)7)34(44)45-9)38-29(41)19-25(35)26(18-24-14-12-11-13-15-24)37-32(42)27(16-20(2)3)36-28(40)17-21(4)5/h11-15,20-23,25-27,30-31H,10,16-19,35H2,1-9H3,(H,36,40)(H,37,42)(H,38,41)(H,39,43)/t23-,25-,26-,27-,30-,31-/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	5.50E+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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