BDBM50071561 3-Hydroxy-4-{(2S,3S)-3-methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoylamino}-5-phenyl-pentanoic acid butylamide::CHEMBL74974

SMILES: CCCCNC(=O)CC(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC

InChI Key: InChIKey=DFWWIDHDAIZSDT-AVPSYHNVSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50071561   

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)	BDBM50071561 (3-Hydroxy-4-{(2S,3S)-3-methyl-2-[2-(naphthalen-2-y...) Show SMILES CCCCNC(=O)CC(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC Show InChI InChI=1S/C33H43N3O5/c1-4-6-18-34-30(38)21-29(37)28(19-24-12-8-7-9-13-24)35-33(40)32(23(3)5-2)36-31(39)22-41-27-17-16-25-14-10-11-15-26(25)20-27/h7-17,20,23,28-29,32,37H,4-6,18-19,21-22H2,1-3H3,(H,34,38)(H,35,40)(H,36,39)/t23-,28?,29?,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of plasmepsin-2 from Plasmodium falciparum.				Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM50071561 (3-Hydroxy-4-{(2S,3S)-3-methyl-2-[2-(naphthalen-2-y...) Show SMILES CCCCNC(=O)CC(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC Show InChI InChI=1S/C33H43N3O5/c1-4-6-18-34-30(38)21-29(37)28(19-24-12-8-7-9-13-24)35-33(40)32(23(3)5-2)36-31(39)22-41-27-17-16-25-14-10-11-15-26(25)20-27/h7-17,20,23,28-29,32,37H,4-6,18-19,21-22H2,1-3H3,(H,34,38)(H,35,40)(H,36,39)/t23-,28?,29?,32-/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	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against cathepsin D				Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9
					More data for this Ligand-Target Pair