BDBM50010899 CHEMBL3264803

SMILES: CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccnc1)N1CCCCC1

InChI Key: InChIKey=FAIVGEWDQVKBIM-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 = 50010899   

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))	BDBM50010899 (CHEMBL3264803) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccnc1)N1CCCCC1 |r| Show InChI InChI=1S/C37H51N5O3/c1-5-18-42(19-6-2)36(45)30-23-29(24-32(25-30)41-20-11-8-12-21-41)35(44)40-33(22-28-14-9-7-10-15-28)34(43)27-39-37(3,4)31-16-13-17-38-26-31/h7,9-10,13-17,23-26,33-34,39,43H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,44)/t33-,34+/m0/s1	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	140	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 II (Plasmodium falciparum)	BDBM50010899 (CHEMBL3264803) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccnc1)N1CCCCC1 |r| Show InChI InChI=1S/C37H51N5O3/c1-5-18-42(19-6-2)36(45)30-23-29(24-32(25-30)41-20-11-8-12-21-41)35(44)40-33(22-28-14-9-7-10-15-28)34(43)27-39-37(3,4)31-16-13-17-38-26-31/h7,9-10,13-17,23-26,33-34,39,43H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,44)/t33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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)	BDBM50010899 (CHEMBL3264803) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccnc1)N1CCCCC1 |r| Show InChI InChI=1S/C37H51N5O3/c1-5-18-42(19-6-2)36(45)30-23-29(24-32(25-30)41-20-11-8-12-21-41)35(44)40-33(22-28-14-9-7-10-15-28)34(43)27-39-37(3,4)31-16-13-17-38-26-31/h7,9-10,13-17,23-26,33-34,39,43H,5-6,8,11-12,18-22,27H2,1-4H3,(H,40,44)/t33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	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