Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50307379'   

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))	BDBM50307379 (CHEMBL603119 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbam...) Show SMILES CO[C@H](C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)CS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C44H55N5O9S/c1-29(2)40(44(54)45-26-31-16-10-7-11-17-31)48-43(53)39(57-5)25-38(50)37(27-58-36-20-14-9-15-21-36)47-42(52)34-22-33(23-35(24-34)49(4)28-59(6,55)56)41(51)46-30(3)32-18-12-8-13-19-32/h7-24,29-30,37-40,50H,25-28H2,1-6H3,(H,45,54)(H,46,51)(H,47,52)(H,48,53)/t30-,37+,38+,39-,40+/m1/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	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Stockholm University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D				J Med Chem 53: 1458-64 (2010) Article DOI: 10.1021/jm901168f BindingDB Entry DOI: 10.7270/Q2DR2VKN
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