Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50372248'   

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))	BDBM50372248 (CHEMBL258315) Show SMILES C[C@H](O)CNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:15:16:19.18.23:21,THB:17:18:21:25.16.24,17:16:19.18.23:21,24:16:19:23.22.21,24:22:19:25.17.16,15:16:19:23.22.21| Show InChI InChI=1S/C26H34N4O2/c1-17(31)15-28-25(27)29-24(32)16-30-22(21-5-3-2-4-6-21)7-8-23(30)26-12-18-9-19(13-26)11-20(10-18)14-26/h2-8,17-20,31H,9-16H2,1H3,(H3,27,28,29,32)/t17-,18?,19?,20?,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 767-71 (2008) Article DOI: 10.1016/j.bmcl.2007.11.043 BindingDB Entry DOI: 10.7270/Q27S7PK8
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