Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.4 BDBM50448553

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50448553 (CHEMBL3127080) Show SMILES CN1C(N)=N[C@@]2(C1=O)c1cc(ccc1O[C@H]1CCOC[C@]21C)-c1cccnc1F |r,c:3| Show InChI InChI=1S/C21H21FN4O3/c1-20-11-28-9-7-16(20)29-15-6-5-12(13-4-3-8-24-17(13)22)10-14(15)21(20)18(27)26(2)19(23)25-21/h3-6,8,10,16H,7,9,11H2,1-2H3,(H2,23,25)/t16-,20-,21+/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	490	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D measured for 1 hr by FRET assay				J Med Chem 57: 878-902 (2014) Article DOI: 10.1021/jm401635n BindingDB Entry DOI: 10.7270/Q2QJ7JS7
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