Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 358.3 BDBM50362531

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

Found 3 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
Beta-glucuronidase (Homo sapiens (Human))	BDBM50362531 (CHEMBL1941008) Show SMILES [O-][N+](=O)c1ccccc1C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14N4O3/c25-19(14-7-1-3-10-17(14)24(26)27)13-23-18-11-4-2-8-15(18)22-20(23)16-9-5-6-12-21-16/h1-12H,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal Curated by ChEMBL					Assay Description Inhibition of beta-glucuronidase (unknown origin)				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111921 BindingDB Entry DOI: 10.7270/Q29W0K1V
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50362531 (CHEMBL1941008) Show SMILES [O-][N+](=O)c1ccccc1C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14N4O3/c25-19(14-7-1-3-10-17(14)24(26)27)13-23-18-11-4-2-8-15(18)22-20(23)16-9-5-6-12-21-16/h1-12H,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50362531 (CHEMBL1941008) Show SMILES [O-][N+](=O)c1ccccc1C(=O)Cn1c(nc2ccccc12)-c1ccccn1 Show InChI InChI=1S/C20H14N4O3/c25-19(14-7-1-3-10-17(14)24(26)27)13-23-18-11-4-2-8-15(18)22-20(23)16-9-5-6-12-21-16/h1-12H,13H2	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	3.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate by FRET analysis				Bioorg Med Chem Lett 22: 1282-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.018 BindingDB Entry DOI: 10.7270/Q2WS8TPJ
					More data for this Ligand-Target Pair