Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM232284'   

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))	BDBM232284 (US9345742, 42) 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](Cc1ccccc1)NC(=O)CC(C)C)C(C)C)C(=O)N[C@H](CO)C(C)C |r| Show InChI InChI=1S/C41H64N6O6/c1-9-28(8)38(41(53)45-34(24-48)26(4)5)46-36(50)23-31(42)32(21-29-16-12-10-13-17-29)44-40(52)37(27(6)7)47-39(51)33(43-35(49)20-25(2)3)22-30-18-14-11-15-19-30/h10-19,25-28,31-34,37-38,48H,9,20-24,42H2,1-8H3,(H,43,49)(H,44,52)(H,45,53)(H,46,50)(H,47,51)/t28-,31-,32-,33-,34+,37-,38-/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	3.60	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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