Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50506517'   

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))	BDBM50506517 (CHEMBL4569563) Show SMILES CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CCCCCCCCCCCNC1=O |r| Show InChI InChI=1S/C28H43Cl2N3O4/c1-19(2)27-28(37)31-15-11-9-7-5-3-4-6-8-10-12-25(35)32-23(24(34)18-26(36)33-27)17-20-13-14-21(29)22(30)16-20/h13-14,16,19,23-24,27,34H,3-12,15,17-18H2,1-2H3,(H,31,37)(H,32,35)(H,33,36)/t23-,24-,27-/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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human placenta CatD using Abz-Lys-Pro-Ala-Glu-Phe-Nph-Ala-Leu as substrate preincubated for 10 mins followed by substrate addition and ...				J Med Chem 63: 1576-1596 (2020) Article DOI: 10.1021/acs.jmedchem.9b01351 BindingDB Entry DOI: 10.7270/Q24Q7Z8X
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