Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 514.6 BDBM50377839

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

Found 2 hits 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))	BDBM50377839 (CHEMBL263405) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)C2)c1 Show InChI InChI=1S/C31H38N4O3/c1-34(2)27-15-9-14-25(16-27)19-32-20-29(36)28(17-23-10-5-3-6-11-23)33-31(38)26-18-30(37)35(22-26)21-24-12-7-4-8-13-24/h3-16,26,28-29,32,36H,17-22H2,1-2H3,(H,33,38)/t26-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of cathepsin D				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50377839 (CHEMBL263405) Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)C2)c1 Show InChI InChI=1S/C31H38N4O3/c1-34(2)27-15-9-14-25(16-27)19-32-20-29(36)28(17-23-10-5-3-6-11-23)33-31(38)26-18-30(37)35(22-26)21-24-12-7-4-8-13-24/h3-16,26,28-29,32,36H,17-22H2,1-2H3,(H,33,38)/t26-,28-,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
LG Life Sciences Curated by ChEMBL					Assay Description Inhibition of human BACE1				Bioorg Med Chem Lett 18: 2900-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ
					More data for this Ligand-Target Pair