Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin E' and Ligand = 'BDBM50400216'   

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 E (Homo sapiens (Human))	BDBM50400216 (CHEMBL2181020) Show SMILES CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NC(C)C |r| Show InChI InChI=1S/C47H72N8O10/c1-27(2)23-35(43(61)50-30(7)46(64)55(10)37(45(63)49-29(5)6)25-33-19-15-12-16-20-33)51-40(59)26-38(57)34(24-32-17-13-11-14-18-32)52-44(62)36(21-22-39(48)58)54(9)47(65)41(28(3)4)53-42(60)31(8)56/h11-20,27-31,34-38,41,56-57H,21-26H2,1-10H3,(H2,48,58)(H,49,63)(H,50,61)(H,51,59)(H,52,62)(H,53,60)/t30-,31-,34-,35-,36-,37+,38-,41-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of cathepsin E by fluorescence assay				J Med Chem 55: 10749-65 (2012) Article DOI: 10.1021/jm301630s BindingDB Entry DOI: 10.7270/Q2TH8NVB
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