Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM232285'   

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))	BDBM232285 (US9345742, 43) Show SMILES CC(C)C[C@H](NC(=O)CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](N)CC(=O)N[C@H](COc1cccnc1)C(C)C |r| Show InChI InChI=1S/C37H58N6O5/c1-23(2)17-31(40-33(44)18-24(3)4)36(46)43-35(26(7)8)37(47)42-30(19-27-13-10-9-11-14-27)29(38)20-34(45)41-32(25(5)6)22-48-28-15-12-16-39-21-28/h9-16,21,23-26,29-32,35H,17-20,22,38H2,1-8H3,(H,40,44)(H,41,45)(H,42,47)(H,43,46)/t29-,30-,31-,32+,35-/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	240	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
					More data for this Ligand-Target Pair