Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50274110'   

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))	BDBM50274110 (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)C(=O)N[C@H](C)c1ccccc1)C(=O)NCc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C40H42F2N4O8/c1-23(2)36(39(51)43-21-25-12-14-27(15-13-25)40(52)53)46-35(48)20-34(47)33(22-54-32-18-30(41)17-31(42)19-32)45-38(50)29-11-7-10-28(16-29)37(49)44-24(3)26-8-5-4-6-9-26/h4-19,23-24,33-34,36,47H,20-22H2,1-3H3,(H,43,51)(H,44,49)(H,45,50)(H,46,48)(H,52,53)/t24-,33+,34+,36+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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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