Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM232255'   

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))	BDBM232255 (US9345742, 13) Show SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)OC |r| Show InChI InChI=1S/C40H68N6O7/c1-12-26(9)35(39(51)46-36(27(10)13-2)40(52)53-11)44-33(48)22-29(41)30(21-28-17-15-14-16-18-28)43-38(50)34(25(7)8)45-37(49)31(19-23(3)4)42-32(47)20-24(5)6/h14-18,23-27,29-31,34-36H,12-13,19-22,41H2,1-11H3,(H,42,47)(H,43,50)(H,44,48)(H,45,49)(H,46,51)/t26-,27-,29-,30-,31-,34-,35-,36-/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	47	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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