Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50540166'   

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))	BDBM50540166 (CHEMBL4636311) Show SMILES [H][C@]1(C[C@H]1C(=O)NCCC)[C@]12COC[C@@]1([H])CSC(N)=N2 |r,c:21| Show InChI InChI=1S/C13H21N3O2S/c1-2-3-15-11(17)9-4-10(9)13-7-18-5-8(13)6-19-12(14)16-13/h8-10H,2-7H2,1H3,(H2,14,16)(H,15,17)/t8-,9+,10+,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human cathepsin D				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
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