Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50189983'   

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))	BDBM50189983 (CHEMBL214974 | N-butyl-4-(1-(3,4,5-trimethoxybenzo...) Show SMILES CCCCNC(=O)\C=C\COc1ccc2ccccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C28H31NO6/c1-5-6-15-29-25(30)12-9-16-35-22-14-13-19-10-7-8-11-21(19)26(22)27(31)20-17-23(32-2)28(34-4)24(18-20)33-3/h7-14,17-18H,5-6,15-16H2,1-4H3,(H,29,30)/b12-9+	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	140	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Medicinal and Aromatic Plants Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem Lett 16: 4603-8 (2006) Article DOI: 10.1016/j.bmcl.2006.06.010 BindingDB Entry DOI: 10.7270/Q2FB53QN
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