BDBM50010856 CHEMBL3264797

SMILES: CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCS1(=O)=O

InChI Key: InChIKey=JLRFZVQEXTVJHE-SZAHLOSFSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50010856   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin D (Homo sapiens (Human))	BDBM50010856 (CHEMBL3264797) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCS1(=O)=O |r| Show InChI InChI=1S/C37H50N4O5S/c1-5-19-40(20-6-2)36(44)30-24-29(25-32(26-30)41-21-13-14-22-47(41,45)46)35(43)39-33(23-28-15-9-7-10-16-28)34(42)27-38-37(3,4)31-17-11-8-12-18-31/h7-12,15-18,24-26,33-34,38,42H,5-6,13-14,19-23,27H2,1-4H3,(H,39,43)/t33-,34+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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 by FRET assay				ACS Med Chem Lett 5: 373-7 (2014) Article DOI: 10.1021/ml4004952 BindingDB Entry DOI: 10.7270/Q26W9CMG
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50010856 (CHEMBL3264797) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCS1(=O)=O |r| Show InChI InChI=1S/C37H50N4O5S/c1-5-19-40(20-6-2)36(44)30-24-29(25-32(26-30)41-21-13-14-22-47(41,45)46)35(43)39-33(23-28-15-9-7-10-16-28)34(42)27-38-37(3,4)31-17-11-8-12-18-31/h7-12,15-18,24-26,33-34,38,42H,5-6,13-14,19-23,27H2,1-4H3,(H,39,43)/t33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	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 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...				ACS Med Chem Lett 5: 373-7 (2014) Article DOI: 10.1021/ml4004952 BindingDB Entry DOI: 10.7270/Q26W9CMG
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50010856 (CHEMBL3264797) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCS1(=O)=O |r| Show InChI InChI=1S/C37H50N4O5S/c1-5-19-40(20-6-2)36(44)30-24-29(25-32(26-30)41-21-13-14-22-47(41,45)46)35(43)39-33(23-28-15-9-7-10-16-28)34(42)27-38-37(3,4)31-17-11-8-12-18-31/h7-12,15-18,24-26,33-34,38,42H,5-6,13-14,19-23,27H2,1-4H3,(H,39,43)/t33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+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 Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET ass...				ACS Med Chem Lett 5: 373-7 (2014) Article DOI: 10.1021/ml4004952 BindingDB Entry DOI: 10.7270/Q26W9CMG
					More data for this Ligand-Target Pair