Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50274111'   

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))	BDBM50274111 (4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydr...) Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COc1cc(F)cc(F)c1)NC(=O)c1cccc(c1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C33H38F2N4O9S/c1-19(2)30(32(43)36-17-20-8-10-21(11-9-20)33(44)45)38-29(41)16-28(40)27(18-48-26-14-23(34)13-24(35)15-26)37-31(42)22-6-5-7-25(12-22)39(3)49(4,46)47/h5-15,19,27-28,30,40H,16-18H2,1-4H3,(H,36,43)(H,37,42)(H,38,41)(H,44,45)/t27-,28-,30-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 16: 9471-86 (2008) Article DOI: 10.1016/j.bmc.2008.09.041 BindingDB Entry DOI: 10.7270/Q2VD6Z8Z
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