Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM232271'   

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))	BDBM232271 (US9345742, 29) 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)NCc1ccccc1 |r| Show InChI InChI=1S/C40H62N6O5/c1-9-28(8)37(39(50)42-24-30-18-14-11-15-19-30)45-35(48)23-31(41)32(22-29-16-12-10-13-17-29)44-40(51)36(27(6)7)46-38(49)33(20-25(2)3)43-34(47)21-26(4)5/h10-19,25-28,31-33,36-37H,9,20-24,41H2,1-8H3,(H,42,50)(H,43,47)(H,44,51)(H,45,48)(H,46,49)/t28-,31-,32-,33-,36-,37-/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	180	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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