Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 465.5 BDBM50145784

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)	BDBM50145784 (CHEMBL3765358) Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCC2CC2)cc1 |r| Show InChI InChI=1S/C30H31N3O2/c31-30-32-27-18-24(22-12-10-21(11-13-22)9-8-20-6-7-20)14-16-26(27)29(34)33(30)19-25-15-17-28(35-25)23-4-2-1-3-5-23/h1-5,10-14,16,18,20,25,28H,6-9,15,17,19H2,(H2,31,32)/t25-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	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)	BDBM50145784 (CHEMBL3765358) Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCC2CC2)cc1 |r| Show InChI InChI=1S/C30H31N3O2/c31-30-32-27-18-24(22-12-10-21(11-13-22)9-8-20-6-7-20)14-16-26(27)29(34)33(30)19-25-15-17-28(35-25)23-4-2-1-3-5-23/h1-5,10-14,16,18,20,25,28H,6-9,15,17,19H2,(H2,31,32)/t25-,28+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	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))	BDBM50145784 (CHEMBL3765358) Show SMILES Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccc(CCC2CC2)cc1 |r| Show InChI InChI=1S/C30H31N3O2/c31-30-32-27-18-24(22-12-10-21(11-13-22)9-8-20-6-7-20)14-16-26(27)29(34)33(30)19-25-15-17-28(35-25)23-4-2-1-3-5-23/h1-5,10-14,16,18,20,25,28H,6-9,15,17,19H2,(H2,31,32)/t25-,28+/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	n/a	n/a	3.20E+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 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