BDBM50010849 CHEMBL3264808

SMILES: COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1CCCC1)N1CCCCC1

InChI Key: InChIKey=SDAMMIZBZDXUIC-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 = 50010849   

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
Plasmepsin 2 (Plasmodium falciparum)	BDBM50010849 (CHEMBL3264808) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1CCCC1)N1CCCCC1 |r| Show InChI InChI=1S/C37H48N4O4/c1-37(2,30-15-12-16-32(25-30)45-3)38-26-34(42)33(21-27-13-6-4-7-14-27)39-35(43)28-22-29(36(44)41-19-10-11-20-41)24-31(23-28)40-17-8-5-9-18-40/h4,6-7,12-16,22-25,33-34,38,42H,5,8-11,17-21,26H2,1-3H3,(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 Patents Similars	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-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)	BDBM50010849 (CHEMBL3264808) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1CCCC1)N1CCCCC1 |r| Show InChI InChI=1S/C37H48N4O4/c1-37(2,30-15-12-16-32(25-30)45-3)38-26-34(42)33(21-27-13-6-4-7-14-27)39-35(43)28-22-29(36(44)41-19-10-11-20-41)24-31(23-28)40-17-8-5-9-18-40/h4,6-7,12-16,22-25,33-34,38,42H,5,8-11,17-21,26H2,1-3H3,(H,39,43)/t33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+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
Cathepsin D (Homo sapiens (Human))	BDBM50010849 (CHEMBL3264808) Show SMILES COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N1CCCC1)N1CCCCC1 |r| Show InChI InChI=1S/C37H48N4O4/c1-37(2,30-15-12-16-32(25-30)45-3)38-26-34(42)33(21-27-13-6-4-7-14-27)39-35(43)28-22-29(36(44)41-19-10-11-20-41)24-31(23-28)40-17-8-5-9-18-40/h4,6-7,12-16,22-25,33-34,38,42H,5,8-11,17-21,26H2,1-3H3,(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 Patents Similars	Article PubMed	n/a	n/a	38	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