Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM214961'   

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))	BDBM214961 (US9296734, 155) Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(CF)C[C@H](OC(N)=N1)C(F)(F)F |r,c:31| Show InChI InChI=1S/C21H17F6N5O3/c1-2-3-4-34-16-9-29-14(8-30-16)18(33)31-11-5-12(17(24)13(23)6-11)20(10-22)7-15(21(25,26)27)35-19(28)32-20/h5-6,8-9,15H,4,7,10H2,1H3,(H2,28,32)(H,31,33)/t15-,20+/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	>4.00E+5	n/a	n/a	n/a	n/a	3.5	n/a
Amgen Inc. US Patent					Assay Description Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...				US Patent US9296734 (2016) BindingDB Entry DOI: 10.7270/Q2DR2TB3
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