Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50312541'   

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))	BDBM50312541 (((S)-1-[(S)-1-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl...) Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](COCc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C41H61F2N5O8S/c1-24(2)34(38(52)44-21-27-13-11-10-12-14-27)47-36(50)26(5)17-33(49)32(23-55-22-28-18-29(42)20-30(43)19-28)46-37(51)31(15-16-57-9)45-39(53)35(25(3)4)48-40(54)56-41(6,7)8/h10-14,18-20,24-26,31-35,49H,15-17,21-23H2,1-9H3,(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,48,54)/t26-,31+,32+,33+,34+,35+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.630	n/a	n/a	n/a	n/a	n/a	n/a
Link£ping University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D after 20 mins by homogeneous time resolved fluorescence assay				Eur J Med Chem 45: 870-82 (2010) Article DOI: 10.1016/j.ejmech.2009.11.013 BindingDB Entry DOI: 10.7270/Q2ZG6SCV
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