Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50071553'   

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))	BDBM50071553 (1-({(1S,2S)-1-[1-Benzyl-2-hydroxy-3-(3-phenyl-prop...) Show SMILES CC[C@H](C)[C@H](NC(=O)CN1CCC(CC1)(C(N)=O)c1ccccc1)C(=O)NC(Cc1ccccc1)C(O)CC(=O)NCCCc1ccccc1 Show InChI InChI=1S/C40H53N5O5/c1-3-29(2)37(44-36(48)28-45-24-21-40(22-25-45,39(41)50)32-19-11-6-12-20-32)38(49)43-33(26-31-16-9-5-10-17-31)34(46)27-35(47)42-23-13-18-30-14-7-4-8-15-30/h4-12,14-17,19-20,29,33-34,37,46H,3,13,18,21-28H2,1-2H3,(H2,41,50)(H,42,47)(H,43,49)(H,44,48)/t29-,33?,34?,37-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against cathepsin D				Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9
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