Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50169100'   

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))	BDBM50169100 (CHEMBL191260 | Pyridine-2-carboxylic acid {(S)-1-[...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccsc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Show InChI InChI=1S/C36H48N6O7S/c1-21(2)16-28(33(37)45)40-34(46)23(5)39-31(44)17-30(43)29(19-49-18-24-9-11-25(12-10-24)26-13-15-50-20-26)41-36(48)32(22(3)4)42-35(47)27-8-6-7-14-38-27/h6-15,20-23,28-30,32,43H,16-19H2,1-5H3,(H2,37,45)(H,39,44)(H,40,46)(H,41,48)(H,42,47)/t23-,28-,29-,30-,32-/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	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Linköping University Curated by ChEMBL					Assay Description Inhibitory concentration against the human Cathepsin D				J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ
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