Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50281642'   

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))	BDBM50281642 (((1S,2S,4S)-1-Cyclohexylmethyl-2-hydroxy-5-methyl-...) Show SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1ccccn1 Show InChI InChI=1S/C32H54N4O5/c1-8-22(4)28(30(39)34-20-24-16-12-13-17-33-24)36-29(38)25(21(2)3)19-27(37)26(18-23-14-10-9-11-15-23)35-31(40)41-32(5,6)7/h12-13,16-17,21-23,25-28,37H,8-11,14-15,18-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,38)/t22?,25-,26-,27-,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	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for aspartyl protease inhibition selectivity relative to Cathepsin D				Bioorg Med Chem Lett 3: 819-824 (1993) Article DOI: 10.1016/S0960-894X(00)80673-3 BindingDB Entry DOI: 10.7270/Q2NS0VCQ
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