BDBM50146766 2-[2-(Naphthalen-2-yloxy)-acetylamino]-pentanedioic acid 5-amide 1-{[1-(2-butylcarbamoyl-1-hydroxy-ethyl)-3-methyl-butyl]-amide}::CHEMBL418961

SMILES: CCCCNC(=O)CC(O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)COc1ccc2ccccc2c1

InChI Key: InChIKey=HRHVWCCOUWHJTF-UHFFFAOYSA-N

Data: 2 KI

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 = 50146766   

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))	BDBM50146766 (2-[2-(Naphthalen-2-yloxy)-acetylamino]-pentanedioi...) Show SMILES CCCCNC(=O)CC(O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)COc1ccc2ccccc2c1 Show InChI InChI=1S/C29H42N4O6/c1-4-5-14-31-27(36)17-25(34)24(15-19(2)3)33-29(38)23(12-13-26(30)35)32-28(37)18-39-22-11-10-20-8-6-7-9-21(20)16-22/h6-11,16,19,23-25,34H,4-5,12-15,17-18H2,1-3H3,(H2,30,35)(H,31,36)(H,32,37)(H,33,38)	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	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Pompeu Fabra Curated by ChEMBL					Assay Description Binding affinity towards human cathepsin D.				J Med Chem 47: 2805-15 (2004) Article DOI: 10.1021/jm0311240 BindingDB Entry DOI: 10.7270/Q22J6CMN
					More data for this Ligand-Target Pair
Plasmepsin 2 (Plasmodium falciparum)	BDBM50146766 (2-[2-(Naphthalen-2-yloxy)-acetylamino]-pentanedioi...) Show SMILES CCCCNC(=O)CC(O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)COc1ccc2ccccc2c1 Show InChI InChI=1S/C29H42N4O6/c1-4-5-14-31-27(36)17-25(34)24(15-19(2)3)33-29(38)23(12-13-26(30)35)32-28(37)18-39-22-11-10-20-8-6-7-9-21(20)16-22/h6-11,16,19,23-25,34H,4-5,12-15,17-18H2,1-3H3,(H2,30,35)(H,31,36)(H,32,37)(H,33,38)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Pompeu Fabra Curated by ChEMBL					Assay Description Binding affinity towards plasmepsin-2 in Plasmodium falciparum.				J Med Chem 47: 2805-15 (2004) Article DOI: 10.1021/jm0311240 BindingDB Entry DOI: 10.7270/Q22J6CMN
					More data for this Ligand-Target Pair