Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50383848'   

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))	BDBM50383848 (CHEMBL2031144) Show SMILES CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc12 |r,wU:17.17,21.22,wD:13.14,4.3,19.24,(-13.45,-30.2,;-12.11,-30.97,;-10.78,-30.19,;-12.1,-32.51,;-10.76,-33.27,;-10.76,-34.81,;-12.1,-35.59,;-13.43,-34.82,;-14.76,-35.59,;-14.75,-37.14,;-16.08,-37.91,;-13.4,-37.9,;-12.08,-37.12,;-9.43,-32.5,;-9.44,-30.96,;-8.1,-33.26,;-6.77,-32.48,;-5.43,-33.25,;-4.09,-32.47,;-2.74,-33.23,;-1.2,-33.23,;-1.2,-31.69,;-.12,-30.6,;-2.74,-31.69,;-2.75,-34.79,;-4.08,-35.56,;-4.08,-37.1,;-5.41,-37.88,;-6.75,-37.1,;-8.08,-37.87,;-8.08,-39.41,;-9.42,-40.18,;-6.75,-40.18,;-8.1,-40.95,;-6.75,-35.56,;-5.42,-34.79,)| Show InChI InChI=1S/C28H37F2N3O3/c1-17(34)33-23(10-18-5-7-20(29)8-6-18)25(35)16-31-24-14-28(12-21(30)13-28)36-26-22(24)9-19(15-32-26)11-27(2,3)4/h5-9,15,21,23-25,31,35H,10-14,16H2,1-4H3,(H,33,34)/t21-,23-,24-,25+,28-/m0/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	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Envoy Therapeutics Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 22: 3607-11 (2012) Article DOI: 10.1016/j.bmcl.2012.04.060 BindingDB Entry DOI: 10.7270/Q2BP03TM
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