Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 397.4 BDBM50145779

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
Plasmepsin II (Plasmodium falciparum)	BDBM50145779 (CHEMBL3765557) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CC(CO1)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H23N3O2/c26-25-27-23-14-19(17-7-3-1-4-8-17)11-12-22(23)24(29)28(25)15-21-13-20(16-30-21)18-9-5-2-6-10-18/h1-12,14,20-21H,13,15-16H2,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition...				J Med Chem 59: 374-87 (2016) Article DOI: 10.1021/acs.jmedchem.5b01558 BindingDB Entry DOI: 10.7270/Q26975DP
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50145779 (CHEMBL3765557) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CC(CO1)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H23N3O2/c26-25-27-23-14-19(17-7-3-1-4-8-17)11-12-22(23)24(29)28(25)15-21-13-20(16-30-21)18-9-5-2-6-10-18/h1-12,14,20-21H,13,15-16H2,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum plasmepsin 1 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition...				J Med Chem 59: 374-87 (2016) Article DOI: 10.1021/acs.jmedchem.5b01558 BindingDB Entry DOI: 10.7270/Q26975DP
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50145779 (CHEMBL3765557) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CC(CO1)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H23N3O2/c26-25-27-23-14-19(17-7-3-1-4-8-17)11-12-22(23)24(29)28(25)15-21-13-20(16-30-21)18-9-5-2-6-10-18/h1-12,14,20-21H,13,15-16H2,(H2,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...				J Med Chem 59: 374-87 (2016) Article DOI: 10.1021/acs.jmedchem.5b01558 BindingDB Entry DOI: 10.7270/Q26975DP
					More data for this Ligand-Target Pair