Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 372.3 BDBM50055915

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))	BDBM50055915 (CHEMBL3321919) Show SMILES COc1cc(CC(=O)NC(=N)NCc2ccccc2)c(cc1OC)[N+]([O-])=O Show InChI InChI=1S/C18H20N4O5/c1-26-15-8-13(14(22(24)25)10-16(15)27-2)9-17(23)21-18(19)20-11-12-6-4-3-5-7-12/h3-8,10H,9,11H2,1-2H3,(H3,19,20,21,23)	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	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D using MCA-labeled GKPILFFRLK(Dnp)-D-R-NH2 peptide by fluorescence-based assay				Bioorg Med Chem Lett 24: 4141-50 (2014) Article DOI: 10.1016/j.bmcl.2014.07.054 BindingDB Entry DOI: 10.7270/Q2W95BV1
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50055915 (CHEMBL3321919) Show SMILES COc1cc(CC(=O)NC(=N)NCc2ccccc2)c(cc1OC)[N+]([O-])=O Show InChI InChI=1S/C18H20N4O5/c1-26-15-8-13(14(22(24)25)10-16(15)27-2)9-17(23)21-18(19)20-11-12-6-4-3-5-7-12/h3-8,10H,9,11H2,1-2H3,(H3,19,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of human recombinant renin using quenched Dabcyl-g-Abu-IHPFHLVIHT-Edans peptide substrate by fluorescence-based assay				Bioorg Med Chem Lett 24: 4141-50 (2014) Article DOI: 10.1016/j.bmcl.2014.07.054 BindingDB Entry DOI: 10.7270/Q2W95BV1
					More data for this Ligand-Target Pair