Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50287744'   

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))	BDBM50287744 (Acetic acid 6-acetyl-3-{4-[4-oxo-2-thioxo-thiazoli...) Show SMILES CCCc1c(COc2ccc(C=C3SC(S)=NC3=O)cc2)ccc(C(C)=O)c1OC(C)=O |w:11.10,c:15| Show InChI InChI=1S/C24H23NO5S2/c1-4-5-20-17(8-11-19(14(2)26)22(20)30-15(3)27)13-29-18-9-6-16(7-10-18)12-21-23(28)25-24(31)32-21/h6-12H,4-5,13H2,1-3H3,(H,25,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of cathepsin D at concentration of 4.15 microg/mL				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
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