Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50189976'   

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))	BDBM50189976 (CHEMBL212492 | N-(4-methoxyphenyl)-4-(1-(3,4,5-tri...) Show SMILES COc1ccc(NC(=O)\C=C\COc2ccc3ccccc3c2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1 Show InChI InChI=1S/C31H29NO7/c1-35-23-14-12-22(13-15-23)32-28(33)10-7-17-39-25-16-11-20-8-5-6-9-24(20)29(25)30(34)21-18-26(36-2)31(38-4)27(19-21)37-3/h5-16,18-19H,17H2,1-4H3,(H,32,33)/b10-7+	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	4.71E+3	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
					More data for this Ligand-Target Pair