Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50274106'   

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))	BDBM50274106 (4-({(3S,4S)-5-(3,5-Difluoro-phenoxy)-3-hydroxy-4-[...) Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)CC(=O)NCc1ccc(cc1)C(O)=O)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C37H38F2N4O9S/c1-22(24-7-5-4-6-8-24)41-35(46)26-13-27(15-30(14-26)43(2)53(3,50)51)36(47)42-32(21-52-31-17-28(38)16-29(39)18-31)33(44)19-34(45)40-20-23-9-11-25(12-10-23)37(48)49/h4-18,22,32-33,44H,19-21H2,1-3H3,(H,40,45)(H,41,46)(H,42,47)(H,48,49)/t22-,32+,33+/m1/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
					More data for this Ligand-Target Pair