Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 670.9 BDBM50507809

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
Plasmepsin IV [1-448] (Plasmodium falciparum)	BDBM50507809 (CHEMBL4454828) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N(CC(C)C)CC(C)C)N1CCCCC1 |r| Show InChI InChI=1S/C41H58N4O4/c1-29(2)27-45(28-30(3)4)40(48)33-22-32(23-35(24-33)44-19-12-9-13-20-44)39(47)43-37(21-31-15-10-8-11-16-31)38(46)26-42-41(5,6)34-17-14-18-36(25-34)49-7/h8,10-11,14-18,22-25,29-30,37-38,42,46H,9,12-13,19-21,26-28H2,1-7H3,(H,43,47)/t37-,38+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	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 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50507809 (CHEMBL4454828) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N(CC(C)C)CC(C)C)N1CCCCC1 |r| Show InChI InChI=1S/C41H58N4O4/c1-29(2)27-45(28-30(3)4)40(48)33-22-32(23-35(24-33)44-19-12-9-13-20-44)39(47)43-37(21-31-15-10-8-11-16-31)38(46)26-42-41(5,6)34-17-14-18-36(25-34)49-7/h8,10-11,14-18,22-25,29-30,37-38,42,46H,9,12-13,19-21,26-28H2,1-7H3,(H,43,47)/t37-,38+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate additi...				Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 BindingDB Entry DOI: 10.7270/Q2BV7KZK
					More data for this Ligand-Target Pair